3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine

C16H33NO — CID 107139233

IUPAC3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(C)C(C)(C)C)C1CCCOC1
InChIInChI=1S/C16H33NO/c1-6-9-17-15(11-13(2)16(3,4)5)14-8-7-10-18-12-14/h13-15,17H,6-12H2,1-5H3
InChIKeyJFBJWMPJYGJGSS-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds6

About 3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine

3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine (PubChem CID 107139233) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine
PubChem CID107139233
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(C)C(C)(C)C)C1CCCOC1
InChIInChI=1S/C16H33NO/c1-6-9-17-15(11-13(2)16(3,4)5)14-8-7-10-18-12-14/h13-15,17H,6-12H2,1-5H3
InChIKeyJFBJWMPJYGJGSS-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine
CID 107139090
4-methylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 65333768
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 113327066
2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 107138992
N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine
CID 107136426
ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate
CID 65236041
N-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine
CID 115855755
2-N,2-N,2-trimethyl-1-(oxan-3-yl)-1-N-propylbutane-1,2-diamine
CID 107136565
1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65333769
N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine
CID 80604878
1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 115778397

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine?
The IUPAC name of 3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine (CID 107139233) is 3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine?
The canonical SMILES for 3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine is CCCNC(CC(C)C(C)(C)C)C1CCCOC1.
What is the InChIKey of 3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine?
The InChIKey is JFBJWMPJYGJGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-9-17-15(11-13(2)16(3,4)5)14-8-7-10-18-12-14/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine?
3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 107139233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).