2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine

C14H29NO — CID 107138992

IUPAC2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(C1CCCOC1)C(C)(C)CC
InChIInChI=1S/C14H29NO/c1-5-9-15-13(14(3,4)6-2)12-8-7-10-16-11-12/h12-13,15H,5-11H2,1-4H3
InChIKeyJHSJMNOIKYZUHZ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds6

About 2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine

2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine (PubChem CID 107138992) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine
PubChem CID107138992
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(C1CCCOC1)C(C)(C)CC
InChIInChI=1S/C14H29NO/c1-5-9-15-13(14(3,4)6-2)12-8-7-10-16-11-12/h12-13,15H,5-11H2,1-4H3
InChIKeyJHSJMNOIKYZUHZ-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(oxolan-3-yl)-N-propylbutan-1-amine
CID 115856711
2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine
CID 107136565
1-cycloheptyl-2,2-dimethyl-N-propylbutan-1-amine
CID 105027902
2-methyl-1-(oxan-3-yl)-2-piperidin-1-yl-N-propylpropan-1-amine
CID 107136554
N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine
CID 107136453
3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 107139233
N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine
CID 107139090
N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine
CID 80604878
2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine
CID 79051831
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105017232
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
N-[(2,2-dimethylcyclopentyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107191939

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine (CID 107138992) is 2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine is CCCNC(C1CCCOC1)C(C)(C)CC.
What is the InChIKey of 2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine?
The InChIKey is JHSJMNOIKYZUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-9-15-13(14(3,4)6-2)12-8-7-10-16-11-12/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine?
2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 107138992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).