1-ethynyl-N,N-dimethylcyclohexan-1-amine

C10H17N — CID 87511349

IUPAC1-ethynyl-N,N-dimethylcyclohexan-1-amine
SMILESC#CC1(N(C)C)CCCCC1
InChIInChI=1S/C10H17N/c1-4-10(11(2)3)8-6-5-7-9-10/h1H,5-9H2,2-3H3
InChIKeyLXRBKIADSMSQLH-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.88
Rot. Bonds1

About 1-ethynyl-N,N-dimethylcyclohexan-1-amine

1-ethynyl-N,N-dimethylcyclohexan-1-amine (PubChem CID 87511349) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-ethynyl-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-ethynyl-N,N-dimethylcyclohexan-1-amine
PubChem CID87511349
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-ethynyl-N,N-dimethylcyclohexan-1-amine
SMILESC#CC1(N(C)C)CCCCC1
InChIInChI=1S/C10H17N/c1-4-10(11(2)3)8-6-5-7-9-10/h1H,5-9H2,2-3H3
InChIKeyLXRBKIADSMSQLH-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-ethynyl-N,N-dimethylcyclohexan-1-amine (CID 87511349) is 1-ethynyl-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-ethynyl-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-ethynyl-N,N-dimethylcyclohexan-1-amine is C#CC1(N(C)C)CCCCC1.
What is the InChIKey of 1-ethynyl-N,N-dimethylcyclohexan-1-amine?
The InChIKey is LXRBKIADSMSQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-10(11(2)3)8-6-5-7-9-10/h1H,5-9H2,2-3H3.
What are the key properties of 1-ethynyl-N,N-dimethylcyclohexan-1-amine?
1-ethynyl-N,N-dimethylcyclohexan-1-amine has a molecular weight of 151.25 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 87511349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).