N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine

C12H24N2O — CID 115244778

IUPACN-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine
SMILESCNCC1(CNCC2CCOCC2)CC1
InChIInChI=1S/C12H24N2O/c1-13-9-12(4-5-12)10-14-8-11-2-6-15-7-3-11/h11,13-14H,2-10H2,1H3
InChIKeyXMGBSGIYGPBWME-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.00
Rot. Bonds6

About N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine

N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine (PubChem CID 115244778) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine
PubChem CID115244778
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine
SMILESCNCC1(CNCC2CCOCC2)CC1
InChIInChI=1S/C12H24N2O/c1-13-9-12(4-5-12)10-14-8-11-2-6-15-7-3-11/h11,13-14H,2-10H2,1H3
InChIKeyXMGBSGIYGPBWME-UHFFFAOYSA-N
XLogP1.00
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine
CID 115363368
N-methyl-1-(oxan-4-yl)methanamine
CID 22225668
N-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine
CID 103991529
N-[[1-(methylaminomethyl)cyclobutyl]methyl]-3-(oxan-4-yl)propanamide
CID 115272152
N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
CID 115887846
2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol
CID 107268217
N-[(3-methoxyoxolan-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 104704975
N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine
CID 62382213
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine
CID 114757546
N-[(1-methylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
CID 115887835
N'-(oxan-4-ylmethyl)methanediamine
CID 115225805
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine
CID 103969185

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine (CID 115244778) is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine is CNCC1(CNCC2CCOCC2)CC1.
What is the InChIKey of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is XMGBSGIYGPBWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13-9-12(4-5-12)10-14-8-11-2-6-15-7-3-11/h11,13-14H,2-10H2,1H3.
What are the key properties of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine?
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 115244778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).