N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine

C11H19N — CID 106547294

IUPACN-(3-methylbut-2-enyl)cyclohex-2-en-1-amine
SMILESCC(C)=CCNC1C=CCCC1
InChIInChI=1S/C11H19N/c1-10(2)8-9-12-11-6-4-3-5-7-11/h4,6,8,11-12H,3,5,7,9H2,1-2H3
InChIKeyCTIXZTYOAIUEGY-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.65
Rot. Bonds3

About N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine

N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine (PubChem CID 106547294) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)cyclohex-2-en-1-amine
PubChem CID106547294
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(3-methylbut-2-enyl)cyclohex-2-en-1-amine
SMILESCC(C)=CCNC1C=CCCC1
InChIInChI=1S/C11H19N/c1-10(2)8-9-12-11-6-4-3-5-7-11/h4,6,8,11-12H,3,5,7,9H2,1-2H3
InChIKeyCTIXZTYOAIUEGY-UHFFFAOYSA-N
XLogP2.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohex-2-en-1-yl-N',N'-dimethylethane-1,2-diamine
CID 103867344
5-(cyclohex-2-en-1-ylamino)pentan-2-ol
CID 106131433
1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol
CID 106285917
N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine
CID 107908089
3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol
CID 107907330
3-(cyclohex-2-en-1-ylamino)propanoic acid
CID 114620369
N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohex-2-en-1-amine
CID 107908235
N-(3-methylbut-2-enyl)thian-4-amine
CID 103522690
[4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol
CID 107908377
5-(cyclohex-2-en-1-ylamino)pentanamide
CID 106237404
2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 103605044
N-propylcyclooct-2-en-1-amine
CID 123644376

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine (CID 106547294) is N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine is CC(C)=CCNC1C=CCCC1.
What is the InChIKey of N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine?
The InChIKey is CTIXZTYOAIUEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-10(2)8-9-12-11-6-4-3-5-7-11/h4,6,8,11-12H,3,5,7,9H2,1-2H3.
What are the key properties of N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine?
N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 106547294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).