N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine

C16H32N2 — CID 64730948

IUPACN-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1C1CC(C)CC(C)C1
InChIInChI=1S/C16H32N2/c1-4-17-12-15-7-5-6-8-18(15)16-10-13(2)9-14(3)11-16/h13-17H,4-12H2,1-3H3
InChIKeyDDBSEKMGBJTQTL-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds4

About N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine

N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine (PubChem CID 64730948) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine
PubChem CID64730948
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1C1CC(C)CC(C)C1
InChIInChI=1S/C16H32N2/c1-4-17-12-15-7-5-6-8-18(15)16-10-13(2)9-14(3)11-16/h13-17H,4-12H2,1-3H3
InChIKeyDDBSEKMGBJTQTL-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine (CID 64730948) is N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine is CCNCC1CCCCN1C1CC(C)CC(C)C1.
What is the InChIKey of N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine?
The InChIKey is DDBSEKMGBJTQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-17-12-15-7-5-6-8-18(15)16-10-13(2)9-14(3)11-16/h13-17H,4-12H2,1-3H3.
What are the key properties of N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine?
N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 64730948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).