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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65328870
3-ethyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 82923076
N-[1,3-bis(oxan-2-yl)butyl]-1,3-bis(oxan-2-yl)butan-1-amine
CID 173131029
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
1-(oxolan-2-yl)-N-propylnonan-1-amine
CID 65328476
1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115794372
N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 107064615
3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 66037811
N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843397
1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
CID 65328878
3-methyl-1-(4-methylmorpholin-2-yl)-N-propylhexan-1-amine
CID 79093366
N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
CID 61065088

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).