tert-butyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]-N-methylcarbamate

C19H30N4O2 — CID 111721649

IUPACtert-butyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]-N-methylcarbamate
SMILESCN(CC/N=C(\N)Nc1cccc2c1CCCC2)C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N4O2/c1-19(2,3)25-18(24)23(4)13-12-21-17(20)22-16-11-7-9-14-8-5-6-10-15(14)16/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H3,20,21,22)
InChIKeyXVFKRPHVYQROTP-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.16
Rot. Bonds4

About tert-butyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]-N-methylcarbamate (PubChem CID 111721649) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is tert-butyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]-N-methylcarbamate
PubChem CID111721649
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Nametert-butyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]-N-methylcarbamate
SMILESCN(CC/N=C(\N)Nc1cccc2c1CCCC2)C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N4O2/c1-19(2,3)25-18(24)23(4)13-12-21-17(20)22-16-11-7-9-14-8-5-6-10-15(14)16/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H3,20,21,22)
InChIKeyXVFKRPHVYQROTP-UHFFFAOYSA-N
XLogP3.16
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N,N-dimethylpropanamide
CID 111721263
2-[3-(dimethylamino)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720610
tert-butyl N-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]-N-methylcarbamate
CID 111096152
2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
tert-butyl 4-[[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111721174
2-(5-methoxypentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721526
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720763
2-pent-3-enyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111813693
2-[[4-(dimethylamino)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720749
2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119142469
N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 111720905
2-(3-anilinopropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721533

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]-N-methylcarbamate (CID 111721649) is tert-butyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]-N-methylcarbamate is CN(CC/N=C(\N)Nc1cccc2c1CCCC2)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]-N-methylcarbamate?
The InChIKey is XVFKRPHVYQROTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-19(2,3)25-18(24)23(4)13-12-21-17(20)22-16-11-7-9-14-8-5-6-10-15(14)16/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H3,20,21,22).
What are the key properties of tert-butyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]-N-methylcarbamate has a molecular weight of 346.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 111721649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).