N-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine

C13H26N2O — CID 82735395

IUPACN-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)C1(CN)CCCCC1
InChIInChI=1S/C13H26N2O/c1-11-12(6-9-16-11)15(2)13(10-14)7-4-3-5-8-13/h11-12H,3-10,14H2,1-2H3
InChIKeyPTPBPQXHBDJAOS-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.76
Rot. Bonds3

About N-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine

N-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82735395) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine
PubChem CID82735395
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)C1(CN)CCCCC1
InChIInChI=1S/C13H26N2O/c1-11-12(6-9-16-11)15(2)13(10-14)7-4-3-5-8-13/h11-12H,3-10,14H2,1-2H3
InChIKeyPTPBPQXHBDJAOS-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)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine
CID 103563096
4-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1-propan-2-ylazepan-4-amine
CID 82733977
N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine
CID 43610982
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine
CID 82740458
4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine
CID 65079445
N-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine
CID 164650876
3-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxolan-3-amine
CID 63335338
N-[1-(aminomethyl)cyclopropyl]-N-methylcyclohexanamine
CID 106660997
[1-[[methyl-(2-methyloxolan-3-yl)amino]methyl]cyclopentyl]methanethiol
CID 82745987
N-[1-(aminomethyl)-3-methylcyclopentyl]-N-methylcyclohexanamine
CID 64501146
N,2-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]oxolan-3-amine
CID 82743845
1-(aminomethyl)-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 65158615

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine (CID 82735395) is N-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine is CC1OCCC1N(C)C1(CN)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is PTPBPQXHBDJAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-12(6-9-16-11)15(2)13(10-14)7-4-3-5-8-13/h11-12H,3-10,14H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-amine?
N-[1-(aminomethyl)cyclohexyl]-N,2-dimethyloxolan-3-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,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82735395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).