N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine

C17H34N2O — CID 62260391

IUPACN-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CN(CC2CC2)C(C)C)CCOC1
InChIInChI=1S/C17H34N2O/c1-14(2)9-18-11-17(7-8-20-13-17)12-19(15(3)4)10-16-5-6-16/h14-16,18H,5-13H2,1-4H3
InChIKeyQKMURAVDRQOWAM-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.76
Rot. Bonds9

About N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine

N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62260391) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62260391
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CN(CC2CC2)C(C)C)CCOC1
InChIInChI=1S/C17H34N2O/c1-14(2)9-18-11-17(7-8-20-13-17)12-19(15(3)4)10-16-5-6-16/h14-16,18H,5-13H2,1-4H3
InChIKeyQKMURAVDRQOWAM-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-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-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62260390
N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62258121
N,4-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]cyclohexan-1-amine
CID 62258684
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62262002
2-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl-pentan-3-ylamino]ethanol
CID 62258789
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 55241855
N,N,N'-trimethyl-N'-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]propane-1,3-diamine
CID 63699661
N-(cyclopropylmethyl)-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]propan-2-amine
CID 62260375
N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62391307
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
2-methyl-N-[[3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63865057

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 62260391) is N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(CN(CC2CC2)C(C)C)CCOC1.
What is the InChIKey of N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is QKMURAVDRQOWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-14(2)9-18-11-17(7-8-20-13-17)12-19(15(3)4)10-16-5-6-16/h14-16,18H,5-13H2,1-4H3.
What are the key properties of N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62260391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).