1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine

C15H27N3 — CID 142941170

IUPAC1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine
SMILESCCN(CC(NC)C(C)C)C1=NC=C(C)C=CC1
InChIInChI=1S/C15H27N3/c1-6-18(11-14(16-5)12(2)3)15-9-7-8-13(4)10-17-15/h7-8,10,12,14,16H,6,9,11H2,1-5H3
InChIKeyONWWJAJYLKJUIY-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.81
Rot. Bonds5

About 1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine

1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine (PubChem CID 142941170) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine
PubChem CID142941170
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine
SMILESCCN(CC(NC)C(C)C)C1=NC=C(C)C=CC1
InChIInChI=1S/C15H27N3/c1-6-18(11-14(16-5)12(2)3)15-9-7-8-13(4)10-17-15/h7-8,10,12,14,16H,6,9,11H2,1-5H3
InChIKeyONWWJAJYLKJUIY-UHFFFAOYSA-N
XLogP2.81
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-2-piperazin-1-yl-3H-azepine
CID 56612312
2-[4-(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)cyclohexa-1,5-dien-1-yl]ethanamine
CID 70920193
6-ethyl-2-piperazin-1-yl-3H-azepine
CID 132001988
2-[2-(ethylamino)ethyl-methylamino]-3H-azepine-6-carbonitrile
CID 139325057
2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen
CID 142160651
2-(3-methylpiperazin-1-yl)-3H-azepine
CID 142940907
ethane;1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine;2-(3-ethylpiperazin-1-yl)-6-methyl-3H-azepine
CID 142941168
(5Z,7Z)-7-methyl-2-piperazin-1-yl-3,4-dihydroazocine
CID 142941226
6-methyl-2-piperazin-1-yl-3H-azepine
CID 142941257
1-N-ethyl-2-N-methyl-1-N-(5-methyl-3H-azepin-2-yl)propane-1,2-diamine
CID 142941284
N-[2-[[(2Z,4Z)-3-[[(Z,2E)-2-(aminomethylidene)pent-3-enyl]amino]-6-methylocta-2,4-dien-2-yl]-methylamino]ethyl]-N'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylpropanimidamide
CID 144222133
(1S)-1-[(5S,6Z)-5-ethyl-6-prop-2-enylidene-4,5-dihydro-1H-pyrimidin-2-yl]-2-methylpropan-1-amine
CID 173753182

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine (CID 142941170) is 1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine is CCN(CC(NC)C(C)C)C1=NC=C(C)C=CC1.
What is the InChIKey of 1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine?
The InChIKey is ONWWJAJYLKJUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-18(11-14(16-5)12(2)3)15-9-7-8-13(4)10-17-15/h7-8,10,12,14,16H,6,9,11H2,1-5H3.
What are the key properties of 1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine?
1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N,3-dimethyl-1-N-(6-methyl-3H-azepin-2-yl)butane-1,2-diamine is sourced from PubChem (CID 142941170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).