N-(5-methylhexyl)cyclohex-2-en-1-amine

C13H25N — CID 107907594

IUPACN-(5-methylhexyl)cyclohex-2-en-1-amine
SMILESCC(C)CCCCNC1C=CCCC1
InChIInChI=1S/C13H25N/c1-12(2)8-6-7-11-14-13-9-4-3-5-10-13/h4,9,12-14H,3,5-8,10-11H2,1-2H3
InChIKeyQWRONPWVQHVOIE-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.51
Rot. Bonds6

About N-(5-methylhexyl)cyclohex-2-en-1-amine

N-(5-methylhexyl)cyclohex-2-en-1-amine (PubChem CID 107907594) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-(5-methylhexyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(5-methylhexyl)cyclohex-2-en-1-amine
PubChem CID107907594
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-(5-methylhexyl)cyclohex-2-en-1-amine
SMILESCC(C)CCCCNC1C=CCCC1
InChIInChI=1S/C13H25N/c1-12(2)8-6-7-11-14-13-9-4-3-5-10-13/h4,9,12-14H,3,5-8,10-11H2,1-2H3
InChIKeyQWRONPWVQHVOIE-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.51
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

5-(cyclohex-2-en-1-ylamino)pentan-2-ol
CID 106131433
N-(4-methylsulfanylbutyl)cyclohex-2-en-1-amine
CID 107234447
5-(cyclohex-2-en-1-ylamino)pentanamide
CID 106237404
N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine
CID 107908089
N-cyclohex-2-en-1-yl-N',N'-dimethylethane-1,2-diamine
CID 103867344
N-(7-methyloctyl)cyclooctanamine
CID 29032555
trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol
CID 102733877
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine
CID 107906360
3-(cyclohex-2-en-1-ylamino)propanoic acid
CID 114620369
N-(2-methoxyethoxy)cyclohex-2-en-1-amine
CID 107907665
3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol
CID 107907330
N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine
CID 107907905

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(5-methylhexyl)cyclohex-2-en-1-amine (CID 107907594) is N-(5-methylhexyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(5-methylhexyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(5-methylhexyl)cyclohex-2-en-1-amine is CC(C)CCCCNC1C=CCCC1.
What is the InChIKey of N-(5-methylhexyl)cyclohex-2-en-1-amine?
The InChIKey is QWRONPWVQHVOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-12(2)8-6-7-11-14-13-9-4-3-5-10-13/h4,9,12-14H,3,5-8,10-11H2,1-2H3.
What are the key properties of N-(5-methylhexyl)cyclohex-2-en-1-amine?
N-(5-methylhexyl)cyclohex-2-en-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 107907594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).