N-[1-(aminomethyl)-3-methoxycyclobutyl]-N-methylcyclohexanamine

C13H26N2O — CID 106821681

IUPACN-[1-(aminomethyl)-3-methoxycyclobutyl]-N-methylcyclohexanamine
SMILESCOC1CC(CN)(N(C)C2CCCCC2)C1
InChIInChI=1S/C13H26N2O/c1-15(11-6-4-3-5-7-11)13(10-14)8-12(9-13)16-2/h11-12H,3-10,14H2,1-2H3
InChIKeyNQUGHHJCYDXVNM-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.76
Rot. Bonds4

About N-[1-(aminomethyl)-3-methoxycyclobutyl]-N-methylcyclohexanamine

N-[1-(aminomethyl)-3-methoxycyclobutyl]-N-methylcyclohexanamine (PubChem CID 106821681) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methoxycyclobutyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methoxycyclobutyl]-N-methylcyclohexanamine
PubChem CID106821681
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[1-(aminomethyl)-3-methoxycyclobutyl]-N-methylcyclohexanamine
SMILESCOC1CC(CN)(N(C)C2CCCCC2)C1
InChIInChI=1S/C13H26N2O/c1-15(11-6-4-3-5-7-11)13(10-14)8-12(9-13)16-2/h11-12H,3-10,14H2,1-2H3
InChIKeyNQUGHHJCYDXVNM-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopropyl]-N-methylcyclohexanamine
CID 106660997
3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43613913
N-[1-(aminomethyl)-3-methylcyclopentyl]-N-methylcyclohexanamine
CID 64501146
3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43267019
1-(aminomethyl)-N-cyclohexyl-N,4-dimethylcyclohexan-1-amine
CID 43409627
3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine
CID 79950104
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-N-methylcycloheptanamine
CID 64622550
3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine
CID 62871304
4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine
CID 54982945
3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine
CID 62975279
2-(aminomethyl)-N-cyclohexyl-N-methyl-1,3-dihydroinden-2-amine
CID 43809043
1-(aminomethyl)-N-cyclobutyl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872758

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methoxycyclobutyl]-N-methylcyclohexanamine?
The IUPAC name of N-[1-(aminomethyl)-3-methoxycyclobutyl]-N-methylcyclohexanamine (CID 106821681) is N-[1-(aminomethyl)-3-methoxycyclobutyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[1-(aminomethyl)-3-methoxycyclobutyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[1-(aminomethyl)-3-methoxycyclobutyl]-N-methylcyclohexanamine is COC1CC(CN)(N(C)C2CCCCC2)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methoxycyclobutyl]-N-methylcyclohexanamine?
The InChIKey is NQUGHHJCYDXVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(11-6-4-3-5-7-11)13(10-14)8-12(9-13)16-2/h11-12H,3-10,14H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-3-methoxycyclobutyl]-N-methylcyclohexanamine?
N-[1-(aminomethyl)-3-methoxycyclobutyl]-N-methylcyclohexanamine has a molecular weight of 226.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methoxycyclobutyl]-N-methylcyclohexanamine is sourced from PubChem (CID 106821681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).