N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine

C15H31N3 — CID 79532954

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)CC2CCC(CN)CC2)C1
InChIInChI=1S/C15H31N3/c1-17-9-3-4-15(12-17)18(2)11-14-7-5-13(10-16)6-8-14/h13-15H,3-12,16H2,1-2H3
InChIKeyYDMHKYVGVAUZCJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.78
Rot. Bonds4

About N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine

N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 79532954) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine
PubChem CID79532954
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)CC2CCC(CN)CC2)C1
InChIInChI=1S/C15H31N3/c1-17-9-3-4-15(12-17)18(2)11-14-7-5-13(10-16)6-8-14/h13-15H,3-12,16H2,1-2H3
InChIKeyYDMHKYVGVAUZCJ-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dimethyl-N-[[4-(methylamino)cyclohexyl]methyl]piperidin-3-amine
CID 115213642
N,1-dimethyl-N-(piperidin-4-ylmethyl)piperidin-3-amine
CID 62546416
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide
CID 63613912
N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine
CID 115258466
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
CID 115225658
4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol
CID 117039168
N-[(4-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 60850713
2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile
CID 62548009
N-[2-(4-aminopiperidin-1-yl)ethyl]-N,1-dimethylpiperidin-3-amine
CID 79327766
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine (CID 79532954) is N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)CC2CCC(CN)CC2)C1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is YDMHKYVGVAUZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-17-9-3-4-15(12-17)18(2)11-14-7-5-13(10-16)6-8-14/h13-15H,3-12,16H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine?
N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 253.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 79532954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).