5-(3,4-dimethylcyclohexyl)oxy-N-methylpentan-1-amine

C14H29NO — CID 64739334

IUPAC5-(3,4-dimethylcyclohexyl)oxy-N-methylpentan-1-amine
SMILESCNCCCCCOC1CCC(C)C(C)C1
InChIInChI=1S/C14H29NO/c1-12-7-8-14(11-13(12)2)16-10-6-4-5-9-15-3/h12-15H,4-11H2,1-3H3
InChIKeyBCPAVOPUVWXHPA-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds7

About 5-(3,4-dimethylcyclohexyl)oxy-N-methylpentan-1-amine

5-(3,4-dimethylcyclohexyl)oxy-N-methylpentan-1-amine (PubChem CID 64739334) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 5-(3,4-dimethylcyclohexyl)oxy-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(3,4-dimethylcyclohexyl)oxy-N-methylpentan-1-amine
PubChem CID64739334
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name5-(3,4-dimethylcyclohexyl)oxy-N-methylpentan-1-amine
SMILESCNCCCCCOC1CCC(C)C(C)C1
InChIInChI=1S/C14H29NO/c1-12-7-8-14(11-13(12)2)16-10-6-4-5-9-15-3/h12-15H,4-11H2,1-3H3
InChIKeyBCPAVOPUVWXHPA-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
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

2-[3-(difluoromethoxy)cyclohexyl]-N-methylethanamine
CID 84722399
trans-Ethyl(4-methoxycyclohexylmethyl)amine
CID 57617624
N-methyl-1-(4-propoxycyclohexyl)methanamine
CID 59107084
1-(3-methoxycyclohexyl)-N-methylmethanamine
CID 64105933
3-(4-methoxycyclohexyl)-N-methylpropan-1-amine
CID 70327252
1-(4-methoxycyclohexyl)-N-methylmethanamine
CID 83863279
N-methyl-1-(4-propan-2-yloxycyclohexyl)methanamine
CID 84111762
N-(methoxymethyl)-1-(4-methoxy-2-methylcyclohexyl)-N-methylmethanamine
CID 90953868
1-(4-methoxycyclohexyl)-N-methylbutan-1-amine
CID 104459479
5-Methoxyoctahydro-1H-isoindole
CID 115012102
N-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]butan-1-amine
CID 143060377
2-(3,4-diethylcyclohexyl)oxy-N-methylethanamine
CID 143486770

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylcyclohexyl)oxy-N-methylpentan-1-amine?
The IUPAC name of 5-(3,4-dimethylcyclohexyl)oxy-N-methylpentan-1-amine (CID 64739334) is 5-(3,4-dimethylcyclohexyl)oxy-N-methylpentan-1-amine.
What is the SMILES notation for 5-(3,4-dimethylcyclohexyl)oxy-N-methylpentan-1-amine?
The canonical SMILES for 5-(3,4-dimethylcyclohexyl)oxy-N-methylpentan-1-amine is CNCCCCCOC1CCC(C)C(C)C1.
What is the InChIKey of 5-(3,4-dimethylcyclohexyl)oxy-N-methylpentan-1-amine?
The InChIKey is BCPAVOPUVWXHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12-7-8-14(11-13(12)2)16-10-6-4-5-9-15-3/h12-15H,4-11H2,1-3H3.
What are the key properties of 5-(3,4-dimethylcyclohexyl)oxy-N-methylpentan-1-amine?
5-(3,4-dimethylcyclohexyl)oxy-N-methylpentan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylcyclohexyl)oxy-N-methylpentan-1-amine is sourced from PubChem (CID 64739334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).