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

C15H31N3 — CID 62614652

IUPACN-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CC2CCCCCC2N)CC1
InChIInChI=1S/C15H31N3/c1-17-10-8-14(9-11-17)18(2)12-13-6-4-3-5-7-15(13)16/h13-15H,3-12,16H2,1-2H3
InChIKeyWDMPIUVCWUYSKZ-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds3

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

N-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 62614652) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID62614652
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)CC2CCCCCC2N)CC1
InChIInChI=1S/C15H31N3/c1-17-10-8-14(9-11-17)18(2)12-13-6-4-3-5-7-15(13)16/h13-15H,3-12,16H2,1-2H3
InChIKeyWDMPIUVCWUYSKZ-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 62615296
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
2-[[methyl-(2-methylcyclohexyl)amino]methyl]cycloheptan-1-amine
CID 62609656
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 138723132
N-[2-(2-aminocyclopentyl)ethyl]-N-methylcyclohexanamine
CID 79569478
N-[2-(aminomethyl)cycloheptyl]-N,1-dimethylpiperidin-4-amine
CID 43329366
1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744436
2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol
CID 62609891

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine (CID 62614652) is N-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)CC2CCCCCC2N)CC1.
What is the InChIKey of N-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is WDMPIUVCWUYSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-17-10-8-14(9-11-17)18(2)12-13-6-4-3-5-7-15(13)16/h13-15H,3-12,16H2,1-2H3.
What are the key properties of N-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine?
N-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 62614652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).