3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine

C17H35N3O — CID 103061012

IUPAC3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C17H35N3O/c1-5-10-18-16-7-11-21-13-15(16)12-20(4)14-17(19(2)3)8-6-9-17/h15-16,18H,5-14H2,1-4H3
InChIKeyIUYSEQBJUDZLHU-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.81
Rot. Bonds8

About 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine

3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine (PubChem CID 103061012) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine
PubChem CID103061012
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C17H35N3O/c1-5-10-18-16-7-11-21-13-15(16)12-20(4)14-17(19(2)3)8-6-9-17/h15-16,18H,5-14H2,1-4H3
InChIKeyIUYSEQBJUDZLHU-UHFFFAOYSA-N
XLogP1.81
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine
CID 103061010
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine
CID 105417254
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-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine
CID 103058871
3-[[2-(cyclopropylmethoxy)ethyl-methylamino]methyl]-N-propyloxan-4-amine
CID 103060644
3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060387
3-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058819
3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine
CID 103060604
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 105414310
3-hexyl-N-propyloxan-4-amine
CID 106469429
N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 63713396

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine?
The IUPAC name of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine (CID 103061012) is 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine.
What is the SMILES notation for 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine?
The canonical SMILES for 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine is CCCNC1CCOCC1CN(C)CC1(N(C)C)CCC1.
What is the InChIKey of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine?
The InChIKey is IUYSEQBJUDZLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-10-18-16-7-11-21-13-15(16)12-20(4)14-17(19(2)3)8-6-9-17/h15-16,18H,5-14H2,1-4H3.
What are the key properties of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine?
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine has a molecular weight of 297.49 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine is sourced from PubChem (CID 103061012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).