N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine

C12H25N3 — CID 79520724

IUPACN-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)C2(CN)CCC2)CC1
InChIInChI=1S/C12H25N3/c1-14-8-4-11(5-9-14)15(2)12(10-13)6-3-7-12/h11H,3-10,13H2,1-2H3
InChIKeyLILLQQWQWAPTPN-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.89
Rot. Bonds3

About N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine

N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 79520724) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
PubChem CID79520724
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)C2(CN)CCC2)CC1
InChIInChI=1S/C12H25N3/c1-14-8-4-11(5-9-14)15(2)12(10-13)6-3-7-12/h11H,3-10,13H2,1-2H3
InChIKeyLILLQQWQWAPTPN-UHFFFAOYSA-N
XLogP0.89
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)azepan-4-amine
CID 65078650
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]-N,1-dimethylpiperidin-4-amine
CID 65091731
N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine
CID 54942199
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
CID 65078649
N-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine
CID 63335656
N-[1-(aminomethyl)cyclopropyl]-N-methylcyclohexanamine
CID 106660997
3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine
CID 62975279
4-(aminomethyl)-N-cyclopropyl-1-ethyl-N-methylpiperidin-4-amine
CID 43264813
N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine
CID 43610982
4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine
CID 65078813
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine
CID 62547640
1-(aminomethyl)-N-cyclohexyl-N,4-dimethylcyclohexan-1-amine
CID 43409627

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine (CID 79520724) is N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)C2(CN)CCC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is LILLQQWQWAPTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14-8-4-11(5-9-14)15(2)12(10-13)6-3-7-12/h11H,3-10,13H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine?
N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 211.35 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 79520724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).