ethyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide

C19H29IN4O2 — CID 111812394

IUPACethyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide
SMILESCCOC(=O)NC(C/N=C(\N)Nc1cccc2c1CCCC2)C1CC1.I
InChIInChI=1S/C19H28N4O2.HI/c1-2-25-19(24)23-17(14-10-11-14)12-21-18(20)22-16-9-5-7-13-6-3-4-8-15(13)16;/h5,7,9,14,17H,2-4,6,8,10-12H2,1H3,(H,23,24)(H3,20,21,22);1H
InChIKeyKLQUUDAWSBMWRV-UHFFFAOYSA-N
MW472.37 g/mol
LogP3.43
Rot. Bonds6

About ethyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide

ethyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide (PubChem CID 111812394) has the molecular formula C19H29IN4O2 and a molecular weight of 472.37 g/mol. Its IUPAC name is ethyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide.

Molecular Properties

Compound Nameethyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide
PubChem CID111812394
Molecular FormulaC19H29IN4O2
Molecular Weight472.37 g/mol
Exact Mass472.13
IUPAC Nameethyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide
SMILESCCOC(=O)NC(C/N=C(\N)Nc1cccc2c1CCCC2)C1CC1.I
InChIInChI=1S/C19H28N4O2.HI/c1-2-25-19(24)23-17(14-10-11-14)12-21-18(20)22-16-9-5-7-13-6-3-4-8-15(13)16;/h5,7,9,14,17H,2-4,6,8,10-12H2,1H3,(H,23,24)(H3,20,21,22);1H
InChIKeyKLQUUDAWSBMWRV-UHFFFAOYSA-N
XLogP3.43
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.37
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze ethyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide with MolForge

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Related Compounds

ethyl N-[2-[[amino-(3-methoxyanilino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide
CID 111812442
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ethyl N-[2-[[amino-(3-phenoxyanilino)methylidene]amino]-1-cyclopropylethyl]carbamate
CID 111812413
2-[2-(2-hydroxyethyl)pentyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111822697
ethyl N-[2-[[amino(propylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide
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2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119142469
3-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N,N-dimethylpropanamide
CID 111721263
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110032765
2-[[4-(ethoxymethyl)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721055
2-[[2-(ethoxymethyl)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721056
2-[3-(2-methylpropoxy)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
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1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(thian-4-ylmethyl)guanidine
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide?
The IUPAC name of ethyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide (CID 111812394) is ethyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide.
What is the SMILES notation for ethyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide?
The canonical SMILES for ethyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide is CCOC(=O)NC(C/N=C(\N)Nc1cccc2c1CCCC2)C1CC1.I.
What is the InChIKey of ethyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide?
The InChIKey is KLQUUDAWSBMWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.HI/c1-2-25-19(24)23-17(14-10-11-14)12-21-18(20)22-16-9-5-7-13-6-3-4-8-15(13)16;/h5,7,9,14,17H,2-4,6,8,10-12H2,1H3,(H,23,24)(H3,20,21,22);1H.
What are the key properties of ethyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide?
ethyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide has a molecular weight of 472.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide is sourced from PubChem (CID 111812394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).