5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine

C16H33NO — CID 64731034

IUPAC5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine
SMILESCC1CC(C)CC(OCCCCCNC(C)C)C1
InChIInChI=1S/C16H33NO/c1-13(2)17-8-6-5-7-9-18-16-11-14(3)10-15(4)12-16/h13-17H,5-12H2,1-4H3
InChIKeyZJMMWZWCRCWDJW-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds8

About 5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine

5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine (PubChem CID 64731034) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine
PubChem CID64731034
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine
SMILESCC1CC(C)CC(OCCCCCNC(C)C)C1
InChIInChI=1S/C16H33NO/c1-13(2)17-8-6-5-7-9-18-16-11-14(3)10-15(4)12-16/h13-17H,5-12H2,1-4H3
InChIKeyZJMMWZWCRCWDJW-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

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine
CID 64730061
4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
CID 64729623
5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine
CID 114342406
4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
CID 62455906
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine
CID 64731424
5-(3-methylcyclobutyl)oxypentan-1-ol
CID 134489229
5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine
CID 62457764
5-(2-cyclopropylethoxy)-N-propan-2-ylpentan-1-amine
CID 106205729
N-propan-2-yl-3-[2-[2-(propan-2-ylamino)ethyl]cyclopropyl]oxypropan-1-amine
CID 170206066
2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol
CID 64807530
13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen
CID 176932946
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine (CID 64731034) is 5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine is CC1CC(C)CC(OCCCCCNC(C)C)C1.
What is the InChIKey of 5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine?
The InChIKey is ZJMMWZWCRCWDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-13(2)17-8-6-5-7-9-18-16-11-14(3)10-15(4)12-16/h13-17H,5-12H2,1-4H3.
What are the key properties of 5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine?
5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-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 5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 64731034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).