N'-ethyl-N'-(3-methyl-3H-azepin-7-yl)ethane-1,2-diamine

C11H19N3 — CID 178001677

IUPACN'-ethyl-N'-(3-methyl-3H-azepin-7-yl)ethane-1,2-diamine
SMILESCCN(CCN)C1=CC=CC(C)C=N1
InChIInChI=1S/C11H19N3/c1-3-14(8-7-12)11-6-4-5-10(2)9-13-11/h4-6,9-10H,3,7-8,12H2,1-2H3
InChIKeyBOHOUZIPDRUYLZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.39
Rot. Bonds4

About N'-ethyl-N'-(3-methyl-3H-azepin-7-yl)ethane-1,2-diamine

N'-ethyl-N'-(3-methyl-3H-azepin-7-yl)ethane-1,2-diamine (PubChem CID 178001677) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N'-ethyl-N'-(3-methyl-3H-azepin-7-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(3-methyl-3H-azepin-7-yl)ethane-1,2-diamine
PubChem CID178001677
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN'-ethyl-N'-(3-methyl-3H-azepin-7-yl)ethane-1,2-diamine
SMILESCCN(CCN)C1=CC=CC(C)C=N1
InChIInChI=1S/C11H19N3/c1-3-14(8-7-12)11-6-4-5-10(2)9-13-11/h4-6,9-10H,3,7-8,12H2,1-2H3
InChIKeyBOHOUZIPDRUYLZ-UHFFFAOYSA-N
XLogP1.39
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane
CID 142170699
7-(3,5-dimethylpiperazin-1-yl)-3H-azepine;ethane
CID 156866547
ethane;7-piperazin-1-yl-3H-azepine
CID 156866991
N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine
CID 142170700
7-(3,5-dimethylpiperazin-1-yl)-3H-azepine
CID 156866548
7-piperazin-1-yl-3H-azepine
CID 156866992

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-methyl-3H-azepin-7-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(3-methyl-3H-azepin-7-yl)ethane-1,2-diamine (CID 178001677) is N'-ethyl-N'-(3-methyl-3H-azepin-7-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(3-methyl-3H-azepin-7-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(3-methyl-3H-azepin-7-yl)ethane-1,2-diamine is CCN(CCN)C1=CC=CC(C)C=N1.
What is the InChIKey of N'-ethyl-N'-(3-methyl-3H-azepin-7-yl)ethane-1,2-diamine?
The InChIKey is BOHOUZIPDRUYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-14(8-7-12)11-6-4-5-10(2)9-13-11/h4-6,9-10H,3,7-8,12H2,1-2H3.
What are the key properties of N'-ethyl-N'-(3-methyl-3H-azepin-7-yl)ethane-1,2-diamine?
N'-ethyl-N'-(3-methyl-3H-azepin-7-yl)ethane-1,2-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(3-methyl-3H-azepin-7-yl)ethane-1,2-diamine is sourced from PubChem (CID 178001677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).