3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine

C16H32N2O2 — CID 103060644

IUPAC3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CN(C)CCOCC1CC1
InChIInChI=1S/C16H32N2O2/c1-3-7-17-16-6-9-19-13-15(16)11-18(2)8-10-20-12-14-4-5-14/h14-17H,3-13H2,1-2H3
InChIKeyBZLHPPPXKKKUCR-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.75
Rot. Bonds10

About 3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine

3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine (PubChem CID 103060644) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine
PubChem CID103060644
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CN(C)CCOCC1CC1
InChIInChI=1S/C16H32N2O2/c1-3-7-17-16-6-9-19-13-15(16)11-18(2)8-10-20-12-14-4-5-14/h14-17H,3-13H2,1-2H3
InChIKeyBZLHPPPXKKKUCR-UHFFFAOYSA-N
XLogP1.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine
CID 103060650
3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060094
3-[[cyclopropyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058724
3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060387
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine
CID 103061012
3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine
CID 103058871
3-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058819
3-hexyl-N-propyloxan-4-amine
CID 106469429
2-[[2-methoxyethyl(methyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62610889
2-[2-(cyclopropylmethoxy)ethyl-methylamino]-1-(oxolan-3-yl)ethanol
CID 104753034
3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine
CID 106469455
N,N-dimethyl-1-[[4-(propylamino)oxan-3-yl]methyl]piperidin-4-amine
CID 103058865

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine?
The IUPAC name of 3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine (CID 103060644) is 3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine.
What is the SMILES notation for 3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine?
The canonical SMILES for 3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine is CCCNC1CCOCC1CN(C)CCOCC1CC1.
What is the InChIKey of 3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine?
The InChIKey is BZLHPPPXKKKUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-7-17-16-6-9-19-13-15(16)11-18(2)8-10-20-12-14-4-5-14/h14-17H,3-13H2,1-2H3.
What are the key properties of 3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine?
3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine has a molecular weight of 284.44 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine is sourced from PubChem (CID 103060644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).