(3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine

C10H20N2 — CID 15887945

IUPAC(3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC(C)[C@@H]1CC[C@@H](C)CN=C1N
InChIInChI=1S/C10H20N2/c1-7(2)9-5-4-8(3)6-12-10(9)11/h7-9H,4-6H2,1-3H3,(H2,11,12)/t8-,9+/m1/s1
InChIKeyPPGAYFCUCJYAQB-BDAKNGLRSA-N
MW168.28 g/mol
LogP2.05
Rot. Bonds1

About (3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine

(3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 15887945) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound Name(3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID15887945
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC(C)[C@@H]1CC[C@@H](C)CN=C1N
InChIInChI=1S/C10H20N2/c1-7(2)9-5-4-8(3)6-12-10(9)11/h7-9H,4-6H2,1-3H3,(H2,11,12)/t8-,9+/m1/s1
InChIKeyPPGAYFCUCJYAQB-BDAKNGLRSA-N
XLogP2.05
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of (3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 15887945) is (3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for (3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for (3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine is CC(C)[C@@H]1CC[C@@H](C)CN=C1N.
What is the InChIKey of (3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is PPGAYFCUCJYAQB-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20N2/c1-7(2)9-5-4-8(3)6-12-10(9)11/h7-9H,4-6H2,1-3H3,(H2,11,12)/t8-,9+/m1/s1.
What are the key properties of (3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine?
(3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 168.28 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 15887945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).