N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine

C16H32N2O — CID 63740150

IUPACN-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine
SMILESCCCN(CC1CC1)CC1(CNCC)CCCOC1
InChIInChI=1S/C16H32N2O/c1-3-9-18(11-15-6-7-15)13-16(12-17-4-2)8-5-10-19-14-16/h15,17H,3-14H2,1-2H3
InChIKeyWJCXFZLKPMHGAH-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds9

About N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine

N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine (PubChem CID 63740150) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine
PubChem CID63740150
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine
SMILESCCCN(CC1CC1)CC1(CNCC)CCCOC1
InChIInChI=1S/C16H32N2O/c1-3-9-18(11-15-6-7-15)13-16(12-17-4-2)8-5-10-19-14-16/h15,17H,3-14H2,1-2H3
InChIKeyWJCXFZLKPMHGAH-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine 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-[(dipropylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740282
[3-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-3-yl]methanol
CID 62270932
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 62258482
N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 63739766
N-[[3-[[cyclobutylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 62862414
N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 63631988
N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63740667
N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine
CID 63741075
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine
CID 55241656
N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 63954673
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-propylpropan-1-amine
CID 63740110
1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine
CID 63739464

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine (CID 63740150) is N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine is CCCN(CC1CC1)CC1(CNCC)CCCOC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine?
The InChIKey is WJCXFZLKPMHGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-9-18(11-15-6-7-15)13-16(12-17-4-2)8-5-10-19-14-16/h15,17H,3-14H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine?
N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 63740150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).