1-nonylcyclohex-2-en-1-amine

C15H29N — CID 57359777

IUPAC1-nonylcyclohex-2-en-1-amine
SMILESCCCCCCCCCC1(N)C=CCCC1
InChIInChI=1S/C15H29N/c1-2-3-4-5-6-7-9-12-15(16)13-10-8-11-14-15/h10,13H,2-9,11-12,14,16H2,1H3
InChIKeyOGWANFFGMLEFFC-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.56
Rot. Bonds8

About 1-nonylcyclohex-2-en-1-amine

1-nonylcyclohex-2-en-1-amine (PubChem CID 57359777) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 1-nonylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name1-nonylcyclohex-2-en-1-amine
PubChem CID57359777
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name1-nonylcyclohex-2-en-1-amine
SMILESCCCCCCCCCC1(N)C=CCCC1
InChIInChI=1S/C15H29N/c1-2-3-4-5-6-7-9-12-15(16)13-10-8-11-14-15/h10,13H,2-9,11-12,14,16H2,1H3
InChIKeyOGWANFFGMLEFFC-UHFFFAOYSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-heptylcyclohex-2-en-1-ol
CID 86052671
3,3-dibutylcyclohexene
CID 174543750
1-decylcyclopropan-1-amine
CID 66023987
1-heptylcycloheptan-1-amine
CID 63407607
1-pentylcyclopropan-1-amine
CID 66023547
1,1,2,2-tetra(pentadecyl)cyclohexane
CID 175058240
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1,2,2-tetra(undecyl)cyclopentane
CID 18757655
1,1-di(nonyl)cyclopentane
CID 154318487
1-hexyl-2,2-dimethylcyclopentan-1-amine
CID 79857458
4-heptyloxan-4-amine
CID 63220508

Frequently Asked Questions

What is the IUPAC name of 1-nonylcyclohex-2-en-1-amine?
The IUPAC name of 1-nonylcyclohex-2-en-1-amine (CID 57359777) is 1-nonylcyclohex-2-en-1-amine.
What is the SMILES notation for 1-nonylcyclohex-2-en-1-amine?
The canonical SMILES for 1-nonylcyclohex-2-en-1-amine is CCCCCCCCCC1(N)C=CCCC1.
What is the InChIKey of 1-nonylcyclohex-2-en-1-amine?
The InChIKey is OGWANFFGMLEFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-2-3-4-5-6-7-9-12-15(16)13-10-8-11-14-15/h10,13H,2-9,11-12,14,16H2,1H3.
What are the key properties of 1-nonylcyclohex-2-en-1-amine?
1-nonylcyclohex-2-en-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonylcyclohex-2-en-1-amine is sourced from PubChem (CID 57359777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).