cis-(1S,3R)-3-methyl-N-prop-2-enylcyclohexan-1-amine

C10H19N — CID 40761647

IUPACcis-(1S,3R)-3-methyl-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCN[C@H]1CCC[C@@H](C)C1
InChIInChI=1S/C10H19N/c1-3-7-11-10-6-4-5-9(2)8-10/h3,9-11H,1,4-8H2,2H3/t9-,10+/m1/s1
InChIKeySUEYSRQLSPZGNK-ZJUUUORDSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds3

About cis-(1S,3R)-3-methyl-N-prop-2-enylcyclohexan-1-amine

cis-(1S,3R)-3-methyl-N-prop-2-enylcyclohexan-1-amine (PubChem CID 40761647) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is cis-(1S,3R)-3-methyl-N-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-methyl-N-prop-2-enylcyclohexan-1-amine
PubChem CID40761647
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Namecis-(1S,3R)-3-methyl-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCN[C@H]1CCC[C@@H](C)C1
InChIInChI=1S/C10H19N/c1-3-7-11-10-6-4-5-9(2)8-10/h3,9-11H,1,4-8H2,2H3/t9-,10+/m1/s1
InChIKeySUEYSRQLSPZGNK-ZJUUUORDSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-methyl-N-prop-2-enylcyclohexan-1-amine?
The IUPAC name of cis-(1S,3R)-3-methyl-N-prop-2-enylcyclohexan-1-amine (CID 40761647) is cis-(1S,3R)-3-methyl-N-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-methyl-N-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-methyl-N-prop-2-enylcyclohexan-1-amine is C=CCN[C@H]1CCC[C@@H](C)C1.
What is the InChIKey of cis-(1S,3R)-3-methyl-N-prop-2-enylcyclohexan-1-amine?
The InChIKey is SUEYSRQLSPZGNK-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19N/c1-3-7-11-10-6-4-5-9(2)8-10/h3,9-11H,1,4-8H2,2H3/t9-,10+/m1/s1.
What are the key properties of cis-(1S,3R)-3-methyl-N-prop-2-enylcyclohexan-1-amine?
cis-(1S,3R)-3-methyl-N-prop-2-enylcyclohexan-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-methyl-N-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 40761647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).