N-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine

C16H28N2 — CID 106224436

IUPACN-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine
SMILESC#CC(CC)NC1CCCCC1C1CCCCN1
InChIInChI=1S/C16H28N2/c1-3-13(4-2)18-16-11-6-5-9-14(16)15-10-7-8-12-17-15/h1,13-18H,4-12H2,2H3
InChIKeyJYKCHCVTEJONEH-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.69
Rot. Bonds4

About N-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine

N-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine (PubChem CID 106224436) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine
PubChem CID106224436
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine
SMILESC#CC(CC)NC1CCCCC1C1CCCCN1
InChIInChI=1S/C16H28N2/c1-3-13(4-2)18-16-11-6-5-9-14(16)15-10-7-8-12-17-15/h1,13-18H,4-12H2,2H3
InChIKeyJYKCHCVTEJONEH-UHFFFAOYSA-N
XLogP2.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hexan-3-yl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553740
2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol
CID 79545851
3-[(2-piperidin-2-ylcyclopentyl)amino]pentan-1-ol
CID 113495583
2-piperidin-2-yl-N-prop-2-ynylcyclopentan-1-amine
CID 79545352
N-(4-methylpent-1-yn-3-yl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 114202020
N-ethyl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553478
N-(1-cyclohexylpropyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544436
2-piperidin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine
CID 79540645
N-octan-4-yl-2-piperidin-2-ylcyclohexan-1-amine
CID 106023087
N-ethoxy-2-piperidin-2-ylcyclohexan-1-amine
CID 82710395
N-[(1R)-1-cyclohexylethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 81384136
(2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol
CID 79544884

Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine?
The IUPAC name of N-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine (CID 106224436) is N-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine?
The canonical SMILES for N-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine is C#CC(CC)NC1CCCCC1C1CCCCN1.
What is the InChIKey of N-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine?
The InChIKey is JYKCHCVTEJONEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-3-13(4-2)18-16-11-6-5-9-14(16)15-10-7-8-12-17-15/h1,13-18H,4-12H2,2H3.
What are the key properties of N-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine?
N-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine is sourced from PubChem (CID 106224436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).