N-(3-piperidin-1-ylpropyl)-4-propan-2-ylcyclohexan-1-amine

C17H34N2 — CID 55106005

IUPACN-(3-piperidin-1-ylpropyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(NCCCN2CCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-15(2)16-7-9-17(10-8-16)18-11-6-14-19-12-4-3-5-13-19/h15-18H,3-14H2,1-2H3
InChIKeyXXYIUQLUBUHJDZ-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds6

About N-(3-piperidin-1-ylpropyl)-4-propan-2-ylcyclohexan-1-amine

N-(3-piperidin-1-ylpropyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 55106005) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID55106005
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-(3-piperidin-1-ylpropyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(NCCCN2CCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-15(2)16-7-9-17(10-8-16)18-11-6-14-19-12-4-3-5-13-19/h15-18H,3-14H2,1-2H3
InChIKeyXXYIUQLUBUHJDZ-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-(3-piperidin-1-ylpropyl)-4-propan-2-ylcyclohexan-1-amine (CID 55106005) is N-(3-piperidin-1-ylpropyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(NCCCN2CCCCC2)CC1.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is XXYIUQLUBUHJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-15(2)16-7-9-17(10-8-16)18-11-6-14-19-12-4-3-5-13-19/h15-18H,3-14H2,1-2H3.
What are the key properties of N-(3-piperidin-1-ylpropyl)-4-propan-2-ylcyclohexan-1-amine?
N-(3-piperidin-1-ylpropyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 55106005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).