N-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine

C15H26N2 — CID 60692485

IUPACN-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine
SMILESC#CCNCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C15H26N2/c1-2-11-16-14-15(9-5-3-6-10-15)17-12-7-4-8-13-17/h1,16H,3-14H2
InChIKeyHRHVCUKRCYODSY-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.40
Rot. Bonds4

About N-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine

N-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine (PubChem CID 60692485) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine
PubChem CID60692485
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine
SMILESC#CCNCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C15H26N2/c1-2-11-16-14-15(9-5-3-6-10-15)17-12-7-4-8-13-17/h1,16H,3-14H2
InChIKeyHRHVCUKRCYODSY-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine?
The IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine (CID 60692485) is N-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine?
The canonical SMILES for N-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine is C#CCNCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of N-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine?
The InChIKey is HRHVCUKRCYODSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-11-16-14-15(9-5-3-6-10-15)17-12-7-4-8-13-17/h1,16H,3-14H2.
What are the key properties of N-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine?
N-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine has a molecular weight of 234.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine is sourced from PubChem (CID 60692485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).