N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine

C12H24N2O — CID 115453877

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
SMILESCN(CC1CCCOC1)CC1(CN)CC1
InChIInChI=1S/C12H24N2O/c1-14(10-12(9-13)4-5-12)7-11-3-2-6-15-8-11/h11H,2-10,13H2,1H3
InChIKeyKQNXPLBVVOYHGN-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.08
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine

N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 115453877) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
PubChem CID115453877
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
SMILESCN(CC1CCCOC1)CC1(CN)CC1
InChIInChI=1S/C12H24N2O/c1-14(10-12(9-13)4-5-12)7-11-3-2-6-15-8-11/h11H,2-10,13H2,1H3
InChIKeyKQNXPLBVVOYHGN-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 63742117
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 62391316
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 63633209
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 63631821
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-1-(oxan-3-yl)methanamine
CID 55226831
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115244261
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine
CID 63726971
1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
CID 63725587
N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63725582
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 66010095
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine (CID 115453877) is N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine is CN(CC1CCCOC1)CC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is KQNXPLBVVOYHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-14(10-12(9-13)4-5-12)7-11-3-2-6-15-8-11/h11H,2-10,13H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 115453877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).