N-[[1-(cyclohexylmethyl)piperidin-2-yl]methyl]propan-2-amine

C16H32N2 — CID 62579660

IUPACN-[[1-(cyclohexylmethyl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCN1CC1CCCCC1
InChIInChI=1S/C16H32N2/c1-14(2)17-12-16-10-6-7-11-18(16)13-15-8-4-3-5-9-15/h14-17H,3-13H2,1-2H3
InChIKeyBTOUMWPBHIKPJW-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds5

About N-[[1-(cyclohexylmethyl)piperidin-2-yl]methyl]propan-2-amine

N-[[1-(cyclohexylmethyl)piperidin-2-yl]methyl]propan-2-amine (PubChem CID 62579660) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[[1-(cyclohexylmethyl)piperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(cyclohexylmethyl)piperidin-2-yl]methyl]propan-2-amine
PubChem CID62579660
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[[1-(cyclohexylmethyl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCN1CC1CCCCC1
InChIInChI=1S/C16H32N2/c1-14(2)17-12-16-10-6-7-11-18(16)13-15-8-4-3-5-9-15/h14-17H,3-13H2,1-2H3
InChIKeyBTOUMWPBHIKPJW-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-1-ethylpiperidin-4-amine
CID 2846481
1-(4-Methyl-cyclohexyl)-piperazinehydrochloride
CID 16188159
1-(Cyclohexylmethyl)piperazine
CID 2735885
4-cyclohexylbutyl-[(1R)-2-methyl-1-[[[(1S)-1-(methylaminomethyl)pentyl]amino]methyl]propyl]amine
CID 24793490
N-[1-(2-cyclohexylethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389041
(R)-N1-methyl-N2-((R)-2-((4-methylcyclohexyl)methylamino)pentyl)pentane-1,2-diamine
CID 45482187
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
1-methyl-N-(2-methylcyclohexyl)piperidin-4-amine
CID 2846586
N-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine
CID 11741263
1-(Cyclohexylmethyl)piperidin-4-amine
CID 6496941
N1-(Cyclohexylmethyl)-1,4-piperazinedipropanamine
CID 44286854
N-[1-(cyclohexylmethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389022

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohexylmethyl)piperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(cyclohexylmethyl)piperidin-2-yl]methyl]propan-2-amine (CID 62579660) is N-[[1-(cyclohexylmethyl)piperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(cyclohexylmethyl)piperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(cyclohexylmethyl)piperidin-2-yl]methyl]propan-2-amine is CC(C)NCC1CCCCN1CC1CCCCC1.
What is the InChIKey of N-[[1-(cyclohexylmethyl)piperidin-2-yl]methyl]propan-2-amine?
The InChIKey is BTOUMWPBHIKPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14(2)17-12-16-10-6-7-11-18(16)13-15-8-4-3-5-9-15/h14-17H,3-13H2,1-2H3.
What are the key properties of N-[[1-(cyclohexylmethyl)piperidin-2-yl]methyl]propan-2-amine?
N-[[1-(cyclohexylmethyl)piperidin-2-yl]methyl]propan-2-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclohexylmethyl)piperidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62579660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).