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

C17H34N2 — CID 64731145

IUPACN-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC1CC(C)CC(N2CCCCC2CNC(C)C)C1
InChIInChI=1S/C17H34N2/c1-13(2)18-12-16-7-5-6-8-19(16)17-10-14(3)9-15(4)11-17/h13-18H,5-12H2,1-4H3
InChIKeyFLZODWIRRABHDI-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.66
Rot. Bonds4

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

N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]propan-2-amine (PubChem CID 64731145) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]propan-2-amine
PubChem CID64731145
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC1CC(C)CC(N2CCCCC2CNC(C)C)C1
InChIInChI=1S/C17H34N2/c1-13(2)18-12-16-7-5-6-8-19(16)17-10-14(3)9-15(4)11-17/h13-18H,5-12H2,1-4H3
InChIKeyFLZODWIRRABHDI-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.66
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]propan-2-amine?
The IUPAC name of N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]propan-2-amine (CID 64731145) is N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]propan-2-amine is CC1CC(C)CC(N2CCCCC2CNC(C)C)C1.
What is the InChIKey of N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]propan-2-amine?
The InChIKey is FLZODWIRRABHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13(2)18-12-16-7-5-6-8-19(16)17-10-14(3)9-15(4)11-17/h13-18H,5-12H2,1-4H3.
What are the key properties of N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]propan-2-amine?
N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]propan-2-amine has a molecular weight of 266.47 g/mol, XLogP of 3.66, 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]propan-2-amine is sourced from PubChem (CID 64731145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).