N-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine

C16H33NO — CID 114342569

IUPACN-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine
SMILESCCCCCCNCCOC1CCC(C)(C)CC1
InChIInChI=1S/C16H33NO/c1-4-5-6-7-12-17-13-14-18-15-8-10-16(2,3)11-9-15/h15,17H,4-14H2,1-3H3
InChIKeyMSGMEFUDQZYILE-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.14
Rot. Bonds9

About N-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine

N-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine (PubChem CID 114342569) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine
PubChem CID114342569
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine
SMILESCCCCCCNCCOC1CCC(C)(C)CC1
InChIInChI=1S/C16H33NO/c1-4-5-6-7-12-17-13-14-18-15-8-10-16(2,3)11-9-15/h15,17H,4-14H2,1-3H3
InChIKeyMSGMEFUDQZYILE-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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'}

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Related Compounds

N-(2-cyclopentyloxyethyl)hexan-1-amine
CID 62567442
N-(2-cycloheptyloxyethyl)pentan-1-amine
CID 62584222
N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-N',N'-diethylethane-1,2-diamine
CID 114342558
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
3-ethoxy-N-[2-(4-methylcyclohexyl)oxyethyl]propan-1-amine
CID 55088488
5-pentoxy-N-propylpentan-1-amine
CID 62451179
5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine
CID 114342406
N,N'-diheptylhexane-1,6-diamine
CID 3028571
octane;N-octylnonan-1-amine
CID 145152206
N-hexyltridecan-1-amine
CID 87659278
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine?
The IUPAC name of N-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine (CID 114342569) is N-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine.
What is the SMILES notation for N-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine?
The canonical SMILES for N-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine is CCCCCCNCCOC1CCC(C)(C)CC1.
What is the InChIKey of N-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine?
The InChIKey is MSGMEFUDQZYILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-5-6-7-12-17-13-14-18-15-8-10-16(2,3)11-9-15/h15,17H,4-14H2,1-3H3.
What are the key properties of N-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine?
N-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine is sourced from PubChem (CID 114342569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).