trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine

C8H15N — CID 89221861

IUPACtrans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine
SMILESC=C1CC[C@H](C)C[C@@H]1N
InChIInChI=1S/C8H15N/c1-6-3-4-7(2)8(9)5-6/h6,8H,2-5,9H2,1H3/t6-,8-/m0/s1
InChIKeyXVNLBPGYXNLDRK-XPUUQOCRSA-N
MW125.21 g/mol
LogP1.69
Rot. Bonds

About trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine

trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine (PubChem CID 89221861) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine
PubChem CID89221861
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Nametrans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine
SMILESC=C1CC[C@H](C)C[C@@H]1N
InChIInChI=1S/C8H15N/c1-6-3-4-7(2)8(9)5-6/h6,8H,2-5,9H2,1H3/t6-,8-/m0/s1
InChIKeyXVNLBPGYXNLDRK-XPUUQOCRSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene
CID 123885670
1-methyl-2-methylidenecyclobutane
CID 20800914
1,2-dimethyl-3-methylidenecyclopentane
CID 529615
(1R)-1-methyl-3-methylidenecyclopentane
CID 58904772
4,6-dimethylcyclooctan-1-one
CID 130038288
3-methyl-4-methylidenecyclohexan-1-ol
CID 91313026
1,2,3-trimethyl-4-methylidenecyclohexane
CID 123416600
(1R)-3-methylcyclopentan-1-amine
CID 58346799
4-bromo-1-methoxy-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62943132
1,3,6,8-tetramethylcyclodecane
CID 162455053
(3R)-1,3-dimethylcyclopentane
CID 13119651
3-methyl-4-methylidenecyclopentan-1-amine
CID 142947651

Frequently Asked Questions

What is the IUPAC name of trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine?
The IUPAC name of trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine (CID 89221861) is trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine.
What is the SMILES notation for trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine?
The canonical SMILES for trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine is C=C1CC[C@H](C)C[C@@H]1N.
What is the InChIKey of trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine?
The InChIKey is XVNLBPGYXNLDRK-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H15N/c1-6-3-4-7(2)8(9)5-6/h6,8H,2-5,9H2,1H3/t6-,8-/m0/s1.
What are the key properties of trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine?
trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine is sourced from PubChem (CID 89221861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).