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

C14H29N3 — CID 60850713

IUPACN-[(4-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CC2CCC(N)CC2)CC1
InChIInChI=1S/C14H29N3/c1-16-9-7-14(8-10-16)17(2)11-12-3-5-13(15)6-4-12/h12-14H,3-11,15H2,1-2H3
InChIKeyIBKYPVWHYOPPEL-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.53
Rot. Bonds3

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

N-[(4-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 60850713) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID60850713
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[(4-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CC2CCC(N)CC2)CC1
InChIInChI=1S/C14H29N3/c1-16-9-7-14(8-10-16)17(2)11-12-3-5-13(15)6-4-12/h12-14H,3-11,15H2,1-2H3
InChIKeyIBKYPVWHYOPPEL-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,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 138723132
4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 115239845
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]azetidin-3-amine
CID 63236886
N-(cyclopropylmethyl)-N-methylcyclopropanamine
CID 67976432
carbanide;N,1-dimethyl-N-(piperidin-1-id-4-ylmethyl)piperidin-4-amine;ethane;yttrium
CID 166112944
N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 62615296
4-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexan-1-amine
CID 60984087
N-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 62614652
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 79532954
3-[[cyclopentyl(methyl)amino]methyl]cyclopentan-1-amine
CID 66008623

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine (CID 60850713) is N-[(4-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)CC2CCC(N)CC2)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is IBKYPVWHYOPPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-16-9-7-14(8-10-16)17(2)11-12-3-5-13(15)6-4-12/h12-14H,3-11,15H2,1-2H3.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine?
N-[(4-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-[(4-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 60850713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).