N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine

C14H28N2 — CID 81169270

IUPACN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine
SMILESCN(CCC1(CN)CCC1)C1CCCCC1
InChIInChI=1S/C14H28N2/c1-16(13-6-3-2-4-7-13)11-10-14(12-15)8-5-9-14/h13H,2-12,15H2,1H3
InChIKeyBNEKZRMKTBHIDZ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.77
Rot. Bonds5

About N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine

N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine (PubChem CID 81169270) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine
PubChem CID81169270
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine
SMILESCN(CCC1(CN)CCC1)C1CCCCC1
InChIInChI=1S/C14H28N2/c1-16(13-6-3-2-4-7-13)11-10-14(12-15)8-5-9-14/h13H,2-12,15H2,1H3
InChIKeyBNEKZRMKTBHIDZ-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylthiolan-3-amine
CID 81168855
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 81168346
N-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine
CID 64678090
2-[1-(aminomethyl)cyclobutyl]-N-(cyclobutylmethyl)-N-methylethanamine
CID 81171568
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-(2-methylpropyl)cyclopropanamine
CID 81170358
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-(oxan-2-ylmethyl)ethanamine
CID 81171118
2-[1-(aminomethyl)cyclohexyl]-N-cyclopentyl-N-methylacetamide
CID 113440139
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine
CID 81169937
N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 178121519
N-[1-(aminomethyl)cyclopropyl]-N-methylcyclohexanamine
CID 106660997
[1-(2-cyclohexylethyl)cycloheptyl]methanamine
CID 114193187
N-[[1-(aminomethyl)cyclopentyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62256264

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine?
The IUPAC name of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine (CID 81169270) is N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine is CN(CCC1(CN)CCC1)C1CCCCC1.
What is the InChIKey of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine?
The InChIKey is BNEKZRMKTBHIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-16(13-6-3-2-4-7-13)11-10-14(12-15)8-5-9-14/h13H,2-12,15H2,1H3.
What are the key properties of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine?
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine has a molecular weight of 224.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine is sourced from PubChem (CID 81169270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).