(4S)-N,N-diethyl-4,6-dimethyl-4H-azepin-2-amine

C12H20N2 — CID 130224206

IUPAC(4S)-N,N-diethyl-4,6-dimethyl-4H-azepin-2-amine
SMILESCCN(CC)C1=C[C@@H](C)C=C(C)C=N1
InChIInChI=1S/C12H20N2/c1-5-14(6-2)12-8-10(3)7-11(4)9-13-12/h7-10H,5-6H2,1-4H3/t10-/m0/s1
InChIKeyNLPRMIFSQGUTSO-JTQLQIEISA-N
MW192.31 g/mol
LogP2.84
Rot. Bonds3

About (4S)-N,N-diethyl-4,6-dimethyl-4H-azepin-2-amine

(4S)-N,N-diethyl-4,6-dimethyl-4H-azepin-2-amine (PubChem CID 130224206) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (4S)-N,N-diethyl-4,6-dimethyl-4H-azepin-2-amine.

Molecular Properties

Compound Name(4S)-N,N-diethyl-4,6-dimethyl-4H-azepin-2-amine
PubChem CID130224206
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(4S)-N,N-diethyl-4,6-dimethyl-4H-azepin-2-amine
SMILESCCN(CC)C1=C[C@@H](C)C=C(C)C=N1
InChIInChI=1S/C12H20N2/c1-5-14(6-2)12-8-10(3)7-11(4)9-13-12/h7-10H,5-6H2,1-4H3/t10-/m0/s1
InChIKeyNLPRMIFSQGUTSO-JTQLQIEISA-N
XLogP2.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-N,N-diethyl-4,6-dimethyl-4H-azepin-2-amine?
The IUPAC name of (4S)-N,N-diethyl-4,6-dimethyl-4H-azepin-2-amine (CID 130224206) is (4S)-N,N-diethyl-4,6-dimethyl-4H-azepin-2-amine.
What is the SMILES notation for (4S)-N,N-diethyl-4,6-dimethyl-4H-azepin-2-amine?
The canonical SMILES for (4S)-N,N-diethyl-4,6-dimethyl-4H-azepin-2-amine is CCN(CC)C1=C[C@@H](C)C=C(C)C=N1.
What is the InChIKey of (4S)-N,N-diethyl-4,6-dimethyl-4H-azepin-2-amine?
The InChIKey is NLPRMIFSQGUTSO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2/c1-5-14(6-2)12-8-10(3)7-11(4)9-13-12/h7-10H,5-6H2,1-4H3/t10-/m0/s1.
What are the key properties of (4S)-N,N-diethyl-4,6-dimethyl-4H-azepin-2-amine?
(4S)-N,N-diethyl-4,6-dimethyl-4H-azepin-2-amine has a molecular weight of 192.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,N-diethyl-4,6-dimethyl-4H-azepin-2-amine is sourced from PubChem (CID 130224206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).