N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine

C13H26N2O — CID 43610982

IUPACN-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine
SMILESCN(C1CCOCC1)C1(CN)CCCCC1
InChIInChI=1S/C13H26N2O/c1-15(12-5-9-16-10-6-12)13(11-14)7-3-2-4-8-13/h12H,2-11,14H2,1H3
InChIKeyZVBWAMTVRVXUKL-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.76
Rot. Bonds3

About N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine

N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine (PubChem CID 43610982) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine
PubChem CID43610982
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine
SMILESCN(C1CCOCC1)C1(CN)CCCCC1
InChIInChI=1S/C13H26N2O/c1-15(12-5-9-16-10-6-12)13(11-14)7-3-2-4-8-13/h12H,2-11,14H2,1H3
InChIKeyZVBWAMTVRVXUKL-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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
N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine
CID 54942199
1-(aminomethyl)-N-cyclohexyl-N,4-dimethylcyclohexan-1-amine
CID 43409627
N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 79520724
4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine
CID 54982945
N-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine
CID 82735395
6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine
CID 126981781
4-(aminomethyl)-1-ethyl-N-methyl-N-(oxolan-3-yl)piperidin-4-amine
CID 82735423
1-(aminomethyl)-N-methyl-N-(oxolan-3-ylmethyl)cycloheptan-1-amine
CID 62008518
N-[1-(aminomethyl)-2-ethylcyclopentyl]-N-methyloxan-4-amine
CID 113483713
N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine
CID 82734241
4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine
CID 65079445

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine (CID 43610982) is N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine is CN(C1CCOCC1)C1(CN)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine?
The InChIKey is ZVBWAMTVRVXUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(12-5-9-16-10-6-12)13(11-14)7-3-2-4-8-13/h12H,2-11,14H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine?
N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine is sourced from PubChem (CID 43610982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).