(4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine

C11H21NO — CID 163863407

IUPAC(4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine
SMILESCO[C@H]1[C@@H](C)[C@@H](C)CC=C(N)[C@H]1C
InChIInChI=1S/C11H21NO/c1-7-5-6-10(12)9(3)11(13-4)8(7)2/h6-9,11H,5,12H2,1-4H3/t7-,8-,9+,11-/m0/s1
InChIKeyPENQSCINNCIVFW-CKEKPRIKSA-N
MW183.29 g/mol
LogP2.16
Rot. Bonds1

About (4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine

(4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine (PubChem CID 163863407) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine.

Molecular Properties

Compound Name(4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine
PubChem CID163863407
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine
SMILESCO[C@H]1[C@@H](C)[C@@H](C)CC=C(N)[C@H]1C
InChIInChI=1S/C11H21NO/c1-7-5-6-10(12)9(3)11(13-4)8(7)2/h6-9,11H,5,12H2,1-4H3/t7-,8-,9+,11-/m0/s1
InChIKeyPENQSCINNCIVFW-CKEKPRIKSA-N
XLogP2.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine with MolForge

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Related Compounds

(4S)-4-methylcyclobuten-1-amine
CID 164996658
3,4-dimethoxy-5,6-dimethyl-1-propan-2-ylcyclohexene
CID 173301750
6-methyl-3-nitrocyclohexa-1,3-dien-1-amine
CID 88976723
1,2,4,7,8,9-hexamethylcyclonona-1,4-diene
CID 123566632
6-methoxycyclohexa-1,3-dien-1-amine
CID 89029184
(4R,5R,6S)-6-ethenoxy-1,4,5-trimethylcyclohexene
CID 155573435
(4R)-6-ethenoxy-1,4,5-trimethylcyclohexene
CID 155485152
[(2R,3R)-2,3-dimethyl-3,4-dihydro-2H-pyran-6-yl]methanamine
CID 144712353
(3R,7S)-7-methyl-2,3,6,7-tetrahydrooxepine-3,4-diamine
CID 170380679
(3Z,5Z)-5-amino-8-methylcycloocta-3,5-dien-1-ol
CID 174024874
sulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene
CID 159799333
(1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene
CID 163060708

Frequently Asked Questions

What is the IUPAC name of (4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine?
The IUPAC name of (4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine (CID 163863407) is (4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine.
What is the SMILES notation for (4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine?
The canonical SMILES for (4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine is CO[C@H]1[C@@H](C)[C@@H](C)CC=C(N)[C@H]1C.
What is the InChIKey of (4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine?
The InChIKey is PENQSCINNCIVFW-CKEKPRIKSA-N. The full InChI is InChI=1S/C11H21NO/c1-7-5-6-10(12)9(3)11(13-4)8(7)2/h6-9,11H,5,12H2,1-4H3/t7-,8-,9+,11-/m0/s1.
What are the key properties of (4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine?
(4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine is sourced from PubChem (CID 163863407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).