7-[(dimethylamino)methyl]-N,N-dimethyl-2H-azepin-4-amine

C11H19N3 — CID 163684541

IUPAC7-[(dimethylamino)methyl]-N,N-dimethyl-2H-azepin-4-amine
SMILESCN(C)CC1=NCC=C(N(C)C)C=C1
InChIInChI=1S/C11H19N3/c1-13(2)9-10-5-6-11(14(3)4)7-8-12-10/h5-7H,8-9H2,1-4H3
InChIKeyJNRWLWBEKVCPPP-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.00
Rot. Bonds3

About 7-[(dimethylamino)methyl]-N,N-dimethyl-2H-azepin-4-amine

7-[(dimethylamino)methyl]-N,N-dimethyl-2H-azepin-4-amine (PubChem CID 163684541) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 7-[(dimethylamino)methyl]-N,N-dimethyl-2H-azepin-4-amine.

Molecular Properties

Compound Name7-[(dimethylamino)methyl]-N,N-dimethyl-2H-azepin-4-amine
PubChem CID163684541
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name7-[(dimethylamino)methyl]-N,N-dimethyl-2H-azepin-4-amine
SMILESCN(C)CC1=NCC=C(N(C)C)C=C1
InChIInChI=1S/C11H19N3/c1-13(2)9-10-5-6-11(14(3)4)7-8-12-10/h5-7H,8-9H2,1-4H3
InChIKeyJNRWLWBEKVCPPP-UHFFFAOYSA-N
XLogP1.00
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(3Z)-5-imino-N,N-dimethylhexa-1,3-dien-2-amine
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Frequently Asked Questions

What is the IUPAC name of 7-[(dimethylamino)methyl]-N,N-dimethyl-2H-azepin-4-amine?
The IUPAC name of 7-[(dimethylamino)methyl]-N,N-dimethyl-2H-azepin-4-amine (CID 163684541) is 7-[(dimethylamino)methyl]-N,N-dimethyl-2H-azepin-4-amine.
What is the SMILES notation for 7-[(dimethylamino)methyl]-N,N-dimethyl-2H-azepin-4-amine?
The canonical SMILES for 7-[(dimethylamino)methyl]-N,N-dimethyl-2H-azepin-4-amine is CN(C)CC1=NCC=C(N(C)C)C=C1.
What is the InChIKey of 7-[(dimethylamino)methyl]-N,N-dimethyl-2H-azepin-4-amine?
The InChIKey is JNRWLWBEKVCPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-13(2)9-10-5-6-11(14(3)4)7-8-12-10/h5-7H,8-9H2,1-4H3.
What are the key properties of 7-[(dimethylamino)methyl]-N,N-dimethyl-2H-azepin-4-amine?
7-[(dimethylamino)methyl]-N,N-dimethyl-2H-azepin-4-amine has a molecular weight of 193.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(dimethylamino)methyl]-N,N-dimethyl-2H-azepin-4-amine is sourced from PubChem (CID 163684541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).