4-[(N,2-dimethylanilino)methyl]-N-propyloxolan-3-amine

C16H26N2O — CID 66255632

IUPAC4-[(N,2-dimethylanilino)methyl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CN(C)c1ccccc1C
InChIInChI=1S/C16H26N2O/c1-4-9-17-15-12-19-11-14(15)10-18(3)16-8-6-5-7-13(16)2/h5-8,14-15,17H,4,9-12H2,1-3H3
InChIKeyOJCSTEAHZRNKSK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds6

About 4-[(N,2-dimethylanilino)methyl]-N-propyloxolan-3-amine

4-[(N,2-dimethylanilino)methyl]-N-propyloxolan-3-amine (PubChem CID 66255632) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[(N,2-dimethylanilino)methyl]-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-[(N,2-dimethylanilino)methyl]-N-propyloxolan-3-amine
PubChem CID66255632
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[(N,2-dimethylanilino)methyl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CN(C)c1ccccc1C
InChIInChI=1S/C16H26N2O/c1-4-9-17-15-12-19-11-14(15)10-18(3)16-8-6-5-7-13(16)2/h5-8,14-15,17H,4,9-12H2,1-3H3
InChIKeyOJCSTEAHZRNKSK-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylaminomethyl)-N-propyloxolan-3-amine
CID 66256952
2-fluoro-N-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494821
N-ethyl-2-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63484140
4-[[cyclopropyl(ethyl)amino]methyl]-N-propyloxolan-3-amine
CID 66256381
4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine
CID 66255630
4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propyloxolan-3-amine
CID 66256771
2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol
CID 63487718
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-propyloxolan-3-amine
CID 66256967
3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060387
N-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine
CID 103059446
4-[[cyclopentyl(ethyl)amino]methyl]-N-propyloxolan-3-amine
CID 66254473
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline
CID 55072223

Frequently Asked Questions

What is the IUPAC name of 4-[(N,2-dimethylanilino)methyl]-N-propyloxolan-3-amine?
The IUPAC name of 4-[(N,2-dimethylanilino)methyl]-N-propyloxolan-3-amine (CID 66255632) is 4-[(N,2-dimethylanilino)methyl]-N-propyloxolan-3-amine.
What is the SMILES notation for 4-[(N,2-dimethylanilino)methyl]-N-propyloxolan-3-amine?
The canonical SMILES for 4-[(N,2-dimethylanilino)methyl]-N-propyloxolan-3-amine is CCCNC1COCC1CN(C)c1ccccc1C.
What is the InChIKey of 4-[(N,2-dimethylanilino)methyl]-N-propyloxolan-3-amine?
The InChIKey is OJCSTEAHZRNKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-9-17-15-12-19-11-14(15)10-18(3)16-8-6-5-7-13(16)2/h5-8,14-15,17H,4,9-12H2,1-3H3.
What are the key properties of 4-[(N,2-dimethylanilino)methyl]-N-propyloxolan-3-amine?
4-[(N,2-dimethylanilino)methyl]-N-propyloxolan-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N,2-dimethylanilino)methyl]-N-propyloxolan-3-amine is sourced from PubChem (CID 66255632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).