3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine

C15H32N2O — CID 103058871

IUPAC3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CN(C)C(CC)CC
InChIInChI=1S/C15H32N2O/c1-5-9-16-15-8-10-18-12-13(15)11-17(4)14(6-2)7-3/h13-16H,5-12H2,1-4H3
InChIKeyBNWPVRRPODXQLD-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds8

About 3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine

3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine (PubChem CID 103058871) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine
PubChem CID103058871
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CN(C)C(CC)CC
InChIInChI=1S/C15H32N2O/c1-5-9-16-15-8-10-18-12-13(15)11-17(4)14(6-2)7-3/h13-16H,5-12H2,1-4H3
InChIKeyBNWPVRRPODXQLD-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[cyclopropyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058724
3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060094
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine
CID 103061012
3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine
CID 103060604
3-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058819
3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine
CID 103060644
3-hexyl-N-propyloxan-4-amine
CID 106469429
3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060387
4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine
CID 66255630
N,N-dimethyl-1-[[4-(propylamino)oxan-3-yl]methyl]piperidin-4-amine
CID 103058865
N-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine
CID 103058880
3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine
CID 106469455

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine?
The IUPAC name of 3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine (CID 103058871) is 3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine.
What is the SMILES notation for 3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine?
The canonical SMILES for 3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine is CCCNC1CCOCC1CN(C)C(CC)CC.
What is the InChIKey of 3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine?
The InChIKey is BNWPVRRPODXQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-9-16-15-8-10-18-12-13(15)11-17(4)14(6-2)7-3/h13-16H,5-12H2,1-4H3.
What are the key properties of 3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine?
3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine is sourced from PubChem (CID 103058871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).