N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine

C16H32N2 — CID 62704648

IUPACN-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(NCC2CCN(C)CC2)CC1
InChIInChI=1S/C16H32N2/c1-13(2)15-4-6-16(7-5-15)17-12-14-8-10-18(3)11-9-14/h13-17H,4-12H2,1-3H3
InChIKeyHGNABPISWSSEBB-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds4

About N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine

N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62704648) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID62704648
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(NCC2CCN(C)CC2)CC1
InChIInChI=1S/C16H32N2/c1-13(2)15-4-6-16(7-5-15)17-12-14-8-10-18(3)11-9-14/h13-17H,4-12H2,1-3H3
InChIKeyHGNABPISWSSEBB-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704083
N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63462599
N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448296
1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine
CID 178033502
1-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-3-amine
CID 62657172
N-(cyclobutylmethyl)-1-methylazepan-4-amine
CID 65070057
N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentanamine
CID 60856905
N-(cyclopropylmethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 78921372
N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 63848083
N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561823
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine
CID 106453510

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 62704648) is N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(NCC2CCN(C)CC2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is HGNABPISWSSEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(2)15-4-6-16(7-5-15)17-12-14-8-10-18(3)11-9-14/h13-17H,4-12H2,1-3H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine?
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62704648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).