2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide

C18H28N4O — CID 111365113

IUPAC2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC1CCCc2ccccc21
InChIInChI=1S/C18H28N4O/c1-4-19-18(21-13-17(23)22(2)3)20-12-15-10-7-9-14-8-5-6-11-16(14)15/h5-6,8,11,15H,4,7,9-10,12-13H2,1-3H3,(H2,19,20,21)
InChIKeyPBULOYJGZHFYRL-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.75
Rot. Bonds5

About 2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111365113) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111365113
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC1CCCc2ccccc21
InChIInChI=1S/C18H28N4O/c1-4-19-18(21-13-17(23)22(2)3)20-12-15-10-7-9-14-8-5-6-11-16(14)15/h5-6,8,11,15H,4,7,9-10,12-13H2,1-3H3,(H2,19,20,21)
InChIKeyPBULOYJGZHFYRL-UHFFFAOYSA-N
XLogP1.75
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-(cyclopropylmethyl)-1-ethyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111868820
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111595594
1-ethyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111015109
1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111524611
2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364983
1-(cyclopropylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine
CID 111870531
N,N-dimethyl-1-[[[N'-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111570792
2-[[ethylamino-[(2-phenylcyclopropyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111558520
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46578689
1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
CID 119140329
2-[[ethylamino-[(1-phenylcyclobutyl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111364849
2-methyl-1-propan-2-yl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111125764

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111365113) is 2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide is CCN/C(=N\CC(=O)N(C)C)NCC1CCCc2ccccc21.
What is the InChIKey of 2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is PBULOYJGZHFYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-4-19-18(21-13-17(23)22(2)3)20-12-15-10-7-9-14-8-5-6-11-16(14)15/h5-6,8,11,15H,4,7,9-10,12-13H2,1-3H3,(H2,19,20,21).
What are the key properties of 2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 316.45 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111365113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).