4-chloro-3-ethyl-7-methyl-2,3-dihydro-1H-azepin-6-amine

C9H15ClN2 — CID 170030613

IUPAC4-chloro-3-ethyl-7-methyl-2,3-dihydro-1H-azepin-6-amine
SMILESCCC1CNC(C)=C(N)C=C1Cl
InChIInChI=1S/C9H15ClN2/c1-3-7-5-12-6(2)9(11)4-8(7)10/h4,7,12H,3,5,11H2,1-2H3
InChIKeyNYPHFRNYYKULAE-UHFFFAOYSA-N
MW186.69 g/mol
LogP1.93
Rot. Bonds1

About 4-chloro-3-ethyl-7-methyl-2,3-dihydro-1H-azepin-6-amine

4-chloro-3-ethyl-7-methyl-2,3-dihydro-1H-azepin-6-amine (PubChem CID 170030613) has the molecular formula C9H15ClN2 and a molecular weight of 186.69 g/mol. Its IUPAC name is 4-chloro-3-ethyl-7-methyl-2,3-dihydro-1H-azepin-6-amine.

Molecular Properties

Compound Name4-chloro-3-ethyl-7-methyl-2,3-dihydro-1H-azepin-6-amine
PubChem CID170030613
Molecular FormulaC9H15ClN2
Molecular Weight186.69 g/mol
Exact Mass186.09
IUPAC Name4-chloro-3-ethyl-7-methyl-2,3-dihydro-1H-azepin-6-amine
SMILESCCC1CNC(C)=C(N)C=C1Cl
InChIInChI=1S/C9H15ClN2/c1-3-7-5-12-6(2)9(11)4-8(7)10/h4,7,12H,3,5,11H2,1-2H3
InChIKeyNYPHFRNYYKULAE-UHFFFAOYSA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.69
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-7-methyl-2,3-dihydro-1H-azepin-6-amine?
The IUPAC name of 4-chloro-3-ethyl-7-methyl-2,3-dihydro-1H-azepin-6-amine (CID 170030613) is 4-chloro-3-ethyl-7-methyl-2,3-dihydro-1H-azepin-6-amine.
What is the SMILES notation for 4-chloro-3-ethyl-7-methyl-2,3-dihydro-1H-azepin-6-amine?
The canonical SMILES for 4-chloro-3-ethyl-7-methyl-2,3-dihydro-1H-azepin-6-amine is CCC1CNC(C)=C(N)C=C1Cl.
What is the InChIKey of 4-chloro-3-ethyl-7-methyl-2,3-dihydro-1H-azepin-6-amine?
The InChIKey is NYPHFRNYYKULAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2/c1-3-7-5-12-6(2)9(11)4-8(7)10/h4,7,12H,3,5,11H2,1-2H3.
What are the key properties of 4-chloro-3-ethyl-7-methyl-2,3-dihydro-1H-azepin-6-amine?
4-chloro-3-ethyl-7-methyl-2,3-dihydro-1H-azepin-6-amine has a molecular weight of 186.69 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-7-methyl-2,3-dihydro-1H-azepin-6-amine is sourced from PubChem (CID 170030613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).