N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine

C14H29N3 — CID 62615296

IUPACN-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CC2CCCCC2N)CC1
InChIInChI=1S/C14H29N3/c1-16-9-7-13(8-10-16)17(2)11-12-5-3-4-6-14(12)15/h12-14H,3-11,15H2,1-2H3
InChIKeyLWWNCSOWSQFLPX-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.53
Rot. Bonds3

About N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine

N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 62615296) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID62615296
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CC2CCCCC2N)CC1
InChIInChI=1S/C14H29N3/c1-16-9-7-13(8-10-16)17(2)11-12-5-3-4-6-14(12)15/h12-14H,3-11,15H2,1-2H3
InChIKeyLWWNCSOWSQFLPX-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 62614652
2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine
CID 62614703
2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine
CID 62614437
N-[(4-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 60850713
N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 55093827
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 138723132
2-[[methyl-(2-methylcyclohexyl)amino]methyl]cycloheptan-1-amine
CID 62609656
molecular hydrogen;trans-(1S,2S)-2-N-methyl-2-N-(1-methylpiperidin-4-yl)cyclohexane-1,2-diamine
CID 142330056
4-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 62609711
N-[2-(2-aminocyclopentyl)ethyl]-N-methylcyclohexanamine
CID 79569478
N-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine
CID 103059874

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine (CID 62615296) is N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)CC2CCCCC2N)CC1.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is LWWNCSOWSQFLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-16-9-7-13(8-10-16)17(2)11-12-5-3-4-6-14(12)15/h12-14H,3-11,15H2,1-2H3.
What are the key properties of N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine?
N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 239.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 62615296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).