2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine

C14H26N2O — CID 80998923

IUPAC2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
SMILESCN(CC1CCCO1)C1CCC1CNC1CC1
InChIInChI=1S/C14H26N2O/c1-16(10-13-3-2-8-17-13)14-7-4-11(14)9-15-12-5-6-12/h11-15H,2-10H2,1H3
InChIKeyXGJDQZUHECVQNZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds6

About 2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine

2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine (PubChem CID 80998923) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
PubChem CID80998923
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
SMILESCN(CC1CCCO1)C1CCC1CNC1CC1
InChIInChI=1S/C14H26N2O/c1-16(10-13-3-2-8-17-13)14-7-4-11(14)9-15-12-5-6-12/h11-15H,2-10H2,1H3
InChIKeyXGJDQZUHECVQNZ-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine
CID 129430640
1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
CID 117027418
N-[[5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62435538
N-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62429287
2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine
CID 61431779
1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
CID 79122440
N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62430129
1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine
CID 62435890
N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80999221
1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105418059
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61431165

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine (CID 80998923) is 2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine is CN(CC1CCCO1)C1CCC1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine?
The InChIKey is XGJDQZUHECVQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-16(10-13-3-2-8-17-13)14-7-4-11(14)9-15-12-5-6-12/h11-15H,2-10H2,1H3.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine?
2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 80998923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).