6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine

C16H33NO — CID 106708691

IUPAC6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine
SMILESCC1CCC(OCCCCC(C)(C)CN)CC1C
InChIInChI=1S/C16H33NO/c1-13-7-8-15(11-14(13)2)18-10-6-5-9-16(3,4)12-17/h13-15H,5-12,17H2,1-4H3
InChIKeyIUEYKSGUMNONCM-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.98
Rot. Bonds7

About 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine

6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine (PubChem CID 106708691) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine.

Molecular Properties

Compound Name6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine
PubChem CID106708691
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine
SMILESCC1CCC(OCCCCC(C)(C)CN)CC1C
InChIInChI=1S/C16H33NO/c1-13-7-8-15(11-14(13)2)18-10-6-5-9-16(3,4)12-17/h13-15H,5-12,17H2,1-4H3
InChIKeyIUEYKSGUMNONCM-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-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

6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexanimidamide
CID 106712451
6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanamide
CID 64746944
6-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)-2-methylhexanenitrile
CID 64746747
6-ethoxy-2,2-dimethylhexan-1-amine
CID 106708552
methyl 2-amino-5-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoate
CID 64745594
2,2-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine
CID 106708589
5-(3,4-dimethylcyclohexyl)oxy-N-(2-methylpropyl)pentan-1-amine
CID 64738324
6-(3,4-dimethylcyclohexyl)oxyhexanoic acid
CID 64747074
1-amino-2-methyl-6-(3-methylcyclohexyl)oxyhexan-2-ol
CID 64815020
4-(3,4-dimethylcyclohexyl)oxybutanenitrile
CID 64744374
6-(3,4-dimethylcyclohexyl)oxyhexane-1-sulfonyl chloride
CID 64738338
methyl 5-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)pentanoate
CID 64746965

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine?
The IUPAC name of 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine (CID 106708691) is 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine.
What is the SMILES notation for 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine?
The canonical SMILES for 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine is CC1CCC(OCCCCC(C)(C)CN)CC1C.
What is the InChIKey of 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine?
The InChIKey is IUEYKSGUMNONCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-13-7-8-15(11-14(13)2)18-10-6-5-9-16(3,4)12-17/h13-15H,5-12,17H2,1-4H3.
What are the key properties of 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine?
6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylcyclohexyl)oxy-2,2-dimethylhexan-1-amine is sourced from PubChem (CID 106708691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).