5-chloro-4-methyl-3,4-dihydro-2H-azepin-7-amine

C7H11ClN2 — CID 143378600

IUPAC5-chloro-4-methyl-3,4-dihydro-2H-azepin-7-amine
SMILESCC1CCN=C(N)C=C1Cl
InChIInChI=1S/C7H11ClN2/c1-5-2-3-10-7(9)4-6(5)8/h4-5H,2-3H2,1H3,(H2,9,10)
InChIKeyZACPSSOELXCHAI-UHFFFAOYSA-N
MW158.63 g/mol
LogP1.51
Rot. Bonds

About 5-chloro-4-methyl-3,4-dihydro-2H-azepin-7-amine

5-chloro-4-methyl-3,4-dihydro-2H-azepin-7-amine (PubChem CID 143378600) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is 5-chloro-4-methyl-3,4-dihydro-2H-azepin-7-amine.

Molecular Properties

Compound Name5-chloro-4-methyl-3,4-dihydro-2H-azepin-7-amine
PubChem CID143378600
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name5-chloro-4-methyl-3,4-dihydro-2H-azepin-7-amine
SMILESCC1CCN=C(N)C=C1Cl
InChIInChI=1S/C7H11ClN2/c1-5-2-3-10-7(9)4-6(5)8/h4-5H,2-3H2,1H3,(H2,9,10)
InChIKeyZACPSSOELXCHAI-UHFFFAOYSA-N
XLogP1.51
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 131721014
1-chloro-6-methylcyclohexene
CID 565192
6-methyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 89188885
4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 45259654
5-chloro-4-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine
CID 106811804
5-chloro-4-N-cycloheptyl-4-N-methylpyrimidine-2,4-diamine
CID 80789751
4-chloro-1-(2-methylcyclobutyl)pyrazol-5-amine
CID 130554541
(2S)-6-chloro-2-methyl-2H-1,4-benzoxazin-3-amine
CID 70248316
7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82728859
6-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82728094
6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine
CID 142185263
5,8-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 64760327

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-3,4-dihydro-2H-azepin-7-amine?
The IUPAC name of 5-chloro-4-methyl-3,4-dihydro-2H-azepin-7-amine (CID 143378600) is 5-chloro-4-methyl-3,4-dihydro-2H-azepin-7-amine.
What is the SMILES notation for 5-chloro-4-methyl-3,4-dihydro-2H-azepin-7-amine?
The canonical SMILES for 5-chloro-4-methyl-3,4-dihydro-2H-azepin-7-amine is CC1CCN=C(N)C=C1Cl.
What is the InChIKey of 5-chloro-4-methyl-3,4-dihydro-2H-azepin-7-amine?
The InChIKey is ZACPSSOELXCHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2/c1-5-2-3-10-7(9)4-6(5)8/h4-5H,2-3H2,1H3,(H2,9,10).
What are the key properties of 5-chloro-4-methyl-3,4-dihydro-2H-azepin-7-amine?
5-chloro-4-methyl-3,4-dihydro-2H-azepin-7-amine has a molecular weight of 158.63 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-3,4-dihydro-2H-azepin-7-amine is sourced from PubChem (CID 143378600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).