5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine

C16H33NO — CID 114342406

IUPAC5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCOC1CCC(C)(C)CC1
InChIInChI=1S/C16H33NO/c1-14(2)17-12-6-5-7-13-18-15-8-10-16(3,4)11-9-15/h14-15,17H,5-13H2,1-4H3
InChIKeyOEIBXOYDDGZOEJ-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.14
Rot. Bonds8

About 5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine

5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine (PubChem CID 114342406) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine
PubChem CID114342406
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCOC1CCC(C)(C)CC1
InChIInChI=1S/C16H33NO/c1-14(2)17-12-6-5-7-13-18-15-8-10-16(3,4)11-9-15/h14-15,17H,5-13H2,1-4H3
InChIKeyOEIBXOYDDGZOEJ-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-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

5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine
CID 64731034
5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine
CID 62457764
4-(6-chlorohexoxy)-1,1-dimethylcyclohexane
CID 114340907
5-(2-cyclopropylethoxy)-N-propan-2-ylpentan-1-amine
CID 106205729
N-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine
CID 114342569
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
3-(1-oxaspiro[5.5]undecan-4-yloxy)-N-propan-2-ylpropan-1-amine
CID 79894633
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
3-[1-(methylsulfanylmethyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine
CID 170251103
5-cyclohexyloxy-N-(2-methylpropyl)pentan-1-amine
CID 62443659
N-(3-cyclohexyloxypropyl)-1-cyclopropylpropan-2-amine
CID 115707843
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine (CID 114342406) is 5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine is CC(C)NCCCCCOC1CCC(C)(C)CC1.
What is the InChIKey of 5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine?
The InChIKey is OEIBXOYDDGZOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-14(2)17-12-6-5-7-13-18-15-8-10-16(3,4)11-9-15/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine?
5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 114342406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).