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

C10H21ClN2 — CID 172703421

IUPAC(3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
SMILESCC(C)[C@@H]1CC[C@@H](C)CN=C1N.Cl
InChIInChI=1S/C10H20N2.ClH/c1-7(2)9-5-4-8(3)6-12-10(9)11;/h7-9H,4-6H2,1-3H3,(H2,11,12);1H/t8-,9+;/m1./s1
InChIKeyDGOOYAZSKCTOPM-RJUBDTSPSA-N
MW204.74 g/mol
LogP2.47
Rot. Bonds1

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

(3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride (PubChem CID 172703421) has the molecular formula C10H21ClN2 and a molecular weight of 204.74 g/mol. Its IUPAC name is (3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride.

Molecular Properties

Compound Name(3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
PubChem CID172703421
Molecular FormulaC10H21ClN2
Molecular Weight204.74 g/mol
Exact Mass204.14
IUPAC Name(3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
SMILESCC(C)[C@@H]1CC[C@@H](C)CN=C1N.Cl
InChIInChI=1S/C10H20N2.ClH/c1-7(2)9-5-4-8(3)6-12-10(9)11;/h7-9H,4-6H2,1-3H3,(H2,11,12);1H/t8-,9+;/m1./s1
InChIKeyDGOOYAZSKCTOPM-RJUBDTSPSA-N
XLogP2.47
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 52.47
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;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-3-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 10797080
N-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine
CID 130756041
trans-(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
CID 26447
cis-(1R,4R)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
CID 11105555
cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
CID 154825120
4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 45259654
2-methylidene-1,3-di(propan-2-yl)cyclopentane
CID 58567630
2-N,2-N-dimethyl-6-[1-(4-methylpiperidin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 51281458
(4E)-2-methyl-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butanal
CID 11229797
8-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-4-amine
CID 177216962
3-methyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 89187993
4,7-dimethyl-10-propan-2-yl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 171086700

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;hydrochloride?
The IUPAC name of (3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride (CID 172703421) is (3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride.
What is the SMILES notation for (3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The canonical SMILES for (3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride is CC(C)[C@@H]1CC[C@@H](C)CN=C1N.Cl.
What is the InChIKey of (3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride?
The InChIKey is DGOOYAZSKCTOPM-RJUBDTSPSA-N. The full InChI is InChI=1S/C10H20N2.ClH/c1-7(2)9-5-4-8(3)6-12-10(9)11;/h7-9H,4-6H2,1-3H3,(H2,11,12);1H/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;hydrochloride?
(3R,6S)-3-methyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride has a molecular weight of 204.74 g/mol, XLogP of 2.47, 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;hydrochloride is sourced from PubChem (CID 172703421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).