(3S,6R)-6-methyl-3-propan-2-ylcyclohepten-1-amine

C11H21N — CID 54316253

IUPAC(3S,6R)-6-methyl-3-propan-2-ylcyclohepten-1-amine
SMILESCC(C)[C@H]1C=C(N)C[C@H](C)CC1
InChIInChI=1S/C11H21N/c1-8(2)10-5-4-9(3)6-11(12)7-10/h7-10H,4-6,12H2,1-3H3/t9-,10-/m1/s1
InChIKeySOJVGFNVNVNTSV-NXEZZACHSA-N
MW167.30 g/mol
LogP2.92
Rot. Bonds1

About (3S,6R)-6-methyl-3-propan-2-ylcyclohepten-1-amine

(3S,6R)-6-methyl-3-propan-2-ylcyclohepten-1-amine (PubChem CID 54316253) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3S,6R)-6-methyl-3-propan-2-ylcyclohepten-1-amine.

Molecular Properties

Compound Name(3S,6R)-6-methyl-3-propan-2-ylcyclohepten-1-amine
PubChem CID54316253
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3S,6R)-6-methyl-3-propan-2-ylcyclohepten-1-amine
SMILESCC(C)[C@H]1C=C(N)C[C@H](C)CC1
InChIInChI=1S/C11H21N/c1-8(2)10-5-4-9(3)6-11(12)7-10/h7-10H,4-6,12H2,1-3H3/t9-,10-/m1/s1
InChIKeySOJVGFNVNVNTSV-NXEZZACHSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-methyl-3-propan-2-ylcyclohepten-1-amine?
The IUPAC name of (3S,6R)-6-methyl-3-propan-2-ylcyclohepten-1-amine (CID 54316253) is (3S,6R)-6-methyl-3-propan-2-ylcyclohepten-1-amine.
What is the SMILES notation for (3S,6R)-6-methyl-3-propan-2-ylcyclohepten-1-amine?
The canonical SMILES for (3S,6R)-6-methyl-3-propan-2-ylcyclohepten-1-amine is CC(C)[C@H]1C=C(N)C[C@H](C)CC1.
What is the InChIKey of (3S,6R)-6-methyl-3-propan-2-ylcyclohepten-1-amine?
The InChIKey is SOJVGFNVNVNTSV-NXEZZACHSA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)10-5-4-9(3)6-11(12)7-10/h7-10H,4-6,12H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (3S,6R)-6-methyl-3-propan-2-ylcyclohepten-1-amine?
(3S,6R)-6-methyl-3-propan-2-ylcyclohepten-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-methyl-3-propan-2-ylcyclohepten-1-amine is sourced from PubChem (CID 54316253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).