N-[[1-(3,4-dimethylcyclohexyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine

C18H36N2 — CID 64738083

IUPACN-[[1-(3,4-dimethylcyclohexyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(C2CCC(C)C(C)C2)CC1
InChIInChI=1S/C18H36N2/c1-14(2)12-19-13-17-7-9-20(10-8-17)18-6-5-15(3)16(4)11-18/h14-19H,5-13H2,1-4H3
InChIKeyVEFNZNFMCQYEPU-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.77
Rot. Bonds5

About N-[[1-(3,4-dimethylcyclohexyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-(3,4-dimethylcyclohexyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 64738083) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylcyclohexyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylcyclohexyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID64738083
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-[[1-(3,4-dimethylcyclohexyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(C2CCC(C)C(C)C2)CC1
InChIInChI=1S/C18H36N2/c1-14(2)12-19-13-17-7-9-20(10-8-17)18-6-5-15(3)16(4)11-18/h14-19H,5-13H2,1-4H3
InChIKeyVEFNZNFMCQYEPU-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 63937896
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]cyclohexan-1-ol
CID 55257021
2-[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]ethanol
CID 114799777
N-[[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 64742879
2-methyl-N-[[1-(2,2,3,3-tetramethylcyclopropyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 79358955
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878751
N-[[1-(3,4-dimethylcyclohexyl)piperidin-3-yl]methyl]propan-1-amine
CID 64738282
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63879103
3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol
CID 114249996
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592050
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetonitrile
CID 63849301
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide
CID 16886802

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylcyclohexyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(3,4-dimethylcyclohexyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine (CID 64738083) is N-[[1-(3,4-dimethylcyclohexyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(3,4-dimethylcyclohexyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(3,4-dimethylcyclohexyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCN(C2CCC(C)C(C)C2)CC1.
What is the InChIKey of N-[[1-(3,4-dimethylcyclohexyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is VEFNZNFMCQYEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-14(2)12-19-13-17-7-9-20(10-8-17)18-6-5-15(3)16(4)11-18/h14-19H,5-13H2,1-4H3.
What are the key properties of N-[[1-(3,4-dimethylcyclohexyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(3,4-dimethylcyclohexyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylcyclohexyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64738083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).