N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-methoxypentan-1-amine

C15H29NO — CID 114130090

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-methoxypentan-1-amine
SMILESCOCCCCCNCC1CC(C)=CC(C)C1
InChIInChI=1S/C15H29NO/c1-13-9-14(2)11-15(10-13)12-16-7-5-4-6-8-17-3/h9,13,15-16H,4-8,10-12H2,1-3H3
InChIKeyXSLBUWUCWZQSGE-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.39
Rot. Bonds8

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-methoxypentan-1-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-methoxypentan-1-amine (PubChem CID 114130090) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-methoxypentan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-methoxypentan-1-amine
PubChem CID114130090
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-methoxypentan-1-amine
SMILESCOCCCCCNCC1CC(C)=CC(C)C1
InChIInChI=1S/C15H29NO/c1-13-9-14(2)11-15(10-13)12-16-7-5-4-6-8-17-3/h9,13,15-16H,4-8,10-12H2,1-3H3
InChIKeyXSLBUWUCWZQSGE-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-methoxypentan-1-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-methoxypentan-1-amine (CID 114130090) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-methoxypentan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-methoxypentan-1-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-methoxypentan-1-amine is COCCCCCNCC1CC(C)=CC(C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-methoxypentan-1-amine?
The InChIKey is XSLBUWUCWZQSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13-9-14(2)11-15(10-13)12-16-7-5-4-6-8-17-3/h9,13,15-16H,4-8,10-12H2,1-3H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-methoxypentan-1-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-methoxypentan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-methoxypentan-1-amine is sourced from PubChem (CID 114130090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).