4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine

C16H32N2 — CID 62614642

IUPAC4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN1CCCCC1
InChIInChI=1S/C16H32N2/c1-3-9-17-16-8-7-14(2)12-15(16)13-18-10-5-4-6-11-18/h14-17H,3-13H2,1-2H3
InChIKeyVUDMFTDWVXABCP-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds5

About 4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine

4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine (PubChem CID 62614642) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine
PubChem CID62614642
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN1CCCCC1
InChIInChI=1S/C16H32N2/c1-3-9-17-16-8-7-14(2)12-15(16)13-18-10-5-4-6-11-18/h14-17H,3-13H2,1-2H3
InChIKeyVUDMFTDWVXABCP-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine (CID 62614642) is 4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1CN1CCCCC1.
What is the InChIKey of 4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine?
The InChIKey is VUDMFTDWVXABCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-9-17-16-8-7-14(2)12-15(16)13-18-10-5-4-6-11-18/h14-17H,3-13H2,1-2H3.
What are the key properties of 4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine?
4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62614642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).