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

C16H33N3O — CID 103061010

IUPAC3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H33N3O/c1-5-17-15-7-10-20-12-14(15)11-19(4)13-16(18(2)3)8-6-9-16/h14-15,17H,5-13H2,1-4H3
InChIKeyGDSXOFLQXMZPBI-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.42
Rot. Bonds7

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

3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine (PubChem CID 103061010) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine.

Molecular Properties

Compound Name3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine
PubChem CID103061010
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H33N3O/c1-5-17-15-7-10-20-12-14(15)11-19(4)13-16(18(2)3)8-6-9-16/h14-15,17H,5-13H2,1-4H3
InChIKeyGDSXOFLQXMZPBI-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine
CID 103061012
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine
CID 105417254
3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine
CID 103060650
N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine
CID 103059662
3-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethyloxan-4-amine
CID 103060336
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 105414310
N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine
CID 103059842
N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine
CID 103060638
3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine
CID 103059502
N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine
CID 103059424
N-ethyl-3-[[2-methylpropyl(propan-2-yl)amino]methyl]oxan-4-amine
CID 103059669
N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059827

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine?
The IUPAC name of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine (CID 103061010) is 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine.
What is the SMILES notation for 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine?
The canonical SMILES for 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine is CCNC1CCOCC1CN(C)CC1(N(C)C)CCC1.
What is the InChIKey of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine?
The InChIKey is GDSXOFLQXMZPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-17-15-7-10-20-12-14(15)11-19(4)13-16(18(2)3)8-6-9-16/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine?
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine has a molecular weight of 283.46 g/mol, XLogP of 1.42, 7 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-ethyloxan-4-amine is sourced from PubChem (CID 103061010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).