3,5-dimethyl-1-(oxan-2-yl)-N-propylhexan-1-amine

C16H33NO — CID 114201822

IUPAC3,5-dimethyl-1-(oxan-2-yl)-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)C)C1CCCCO1
InChIInChI=1S/C16H33NO/c1-5-9-17-15(12-14(4)11-13(2)3)16-8-6-7-10-18-16/h13-17H,5-12H2,1-4H3
InChIKeyPCCHGLMCJRJESS-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds8

About 3,5-dimethyl-1-(oxan-2-yl)-N-propylhexan-1-amine

3,5-dimethyl-1-(oxan-2-yl)-N-propylhexan-1-amine (PubChem CID 114201822) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 3,5-dimethyl-1-(oxan-2-yl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-(oxan-2-yl)-N-propylhexan-1-amine
PubChem CID114201822
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name3,5-dimethyl-1-(oxan-2-yl)-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)C)C1CCCCO1
InChIInChI=1S/C16H33NO/c1-5-9-17-15(12-14(4)11-13(2)3)16-8-6-7-10-18-16/h13-17H,5-12H2,1-4H3
InChIKeyPCCHGLMCJRJESS-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(oxan-2-yl)-N-propylhexan-1-amine?
The IUPAC name of 3,5-dimethyl-1-(oxan-2-yl)-N-propylhexan-1-amine (CID 114201822) is 3,5-dimethyl-1-(oxan-2-yl)-N-propylhexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-1-(oxan-2-yl)-N-propylhexan-1-amine?
The canonical SMILES for 3,5-dimethyl-1-(oxan-2-yl)-N-propylhexan-1-amine is CCCNC(CC(C)CC(C)C)C1CCCCO1.
What is the InChIKey of 3,5-dimethyl-1-(oxan-2-yl)-N-propylhexan-1-amine?
The InChIKey is PCCHGLMCJRJESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-9-17-15(12-14(4)11-13(2)3)16-8-6-7-10-18-16/h13-17H,5-12H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-(oxan-2-yl)-N-propylhexan-1-amine?
3,5-dimethyl-1-(oxan-2-yl)-N-propylhexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(oxan-2-yl)-N-propylhexan-1-amine is sourced from PubChem (CID 114201822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).