2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine

C12H21N3 — CID 134989134

IUPAC2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine
SMILESCCN(CC)C1=NC=CC(N(C)C)=CC1
InChIInChI=1S/C12H21N3/c1-5-15(6-2)12-8-7-11(14(3)4)9-10-13-12/h7,9-10H,5-6,8H2,1-4H3
InChIKeyJXWGQMPDXJRKHQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.09
Rot. Bonds3

About 2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine

2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine (PubChem CID 134989134) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine
PubChem CID134989134
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine
SMILESCCN(CC)C1=NC=CC(N(C)C)=CC1
InChIInChI=1S/C12H21N3/c1-5-15(6-2)12-8-7-11(14(3)4)9-10-13-12/h7,9-10H,5-6,8H2,1-4H3
InChIKeyJXWGQMPDXJRKHQ-UHFFFAOYSA-N
XLogP2.09
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-5-fluoro-3H-azepin-2-amine
CID 13580905
3H-Azepin-2-amine, N,N-diethyl-
CID 12218543
N,N-Dibutyl-3H-azepin-2-amine
CID 20311261
N'-[3-[2-fluoroethyl(hexa-3,5-dien-3-yl)amino]-2-methylbuta-1,3-dienyl]-N,N-dimethylethanimidamide
CID 123669469
N,N-diethyl-4-methyl-3H-azepin-2-amine
CID 12218528
N,N-diethyl-6-methyl-3H-azepin-2-amine
CID 12218529
4-chloro-N,N-diethyl-3H-azepin-2-amine
CID 12218532
6-chloro-N,N-diethyl-3H-azepin-2-amine
CID 12218533
N,N-diethyl-5-methyl-3H-azepin-2-amine
CID 12218538
2-(Diethylamino)-5-chloro-3h-azepine
CID 12218539
5-bromo-N,N-diethyl-3H-azepin-2-amine
CID 12218540
N,N-diethyl-3-methyl-3H-azepin-2-amine
CID 12218544

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine?
The IUPAC name of 2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine (CID 134989134) is 2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine?
The canonical SMILES for 2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine is CCN(CC)C1=NC=CC(N(C)C)=CC1.
What is the InChIKey of 2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine?
The InChIKey is JXWGQMPDXJRKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-15(6-2)12-8-7-11(14(3)4)9-10-13-12/h7,9-10H,5-6,8H2,1-4H3.
What are the key properties of 2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine?
2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine is sourced from PubChem (CID 134989134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).