N-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine

C12H21N — CID 24974469

IUPACN-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine
SMILESC=C(C)C(=C)CNC1CCCCC1
InChIInChI=1S/C12H21N/c1-10(2)11(3)9-13-12-7-5-4-6-8-12/h12-13H,1,3-9H2,2H3
InChIKeyOMCADOULIHDENB-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.04
Rot. Bonds4

About N-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine

N-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine (PubChem CID 24974469) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine.

Molecular Properties

Compound NameN-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine
PubChem CID24974469
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine
SMILESC=C(C)C(=C)CNC1CCCCC1
InChIInChI=1S/C12H21N/c1-10(2)11(3)9-13-12-7-5-4-6-8-12/h12-13H,1,3-9H2,2H3
InChIKeyOMCADOULIHDENB-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(cycloheptylamino)methyl]prop-2-enoic acid
CID 103237247
N-(2-methylidenebutyl)cycloheptanamine
CID 66045688
2-[(cyclobutylamino)methyl]prop-2-enoic acid
CID 103250129
N-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]cyclohexanamine
CID 170104744
1-(cyclopentylamino)-5-methylhex-5-en-2-one
CID 114477892
N-(3-chloro-2-methylprop-2-enyl)cycloheptanamine
CID 106437444
N-[(E)-2-ethylbut-2-enyl]cyclohexanamine
CID 134926768
1-(cyclobutylamino)propan-2-one
CID 21335373
[(5-methylcyclononyl)amino]methanol
CID 155469542
N-(3-chloro-2-methylprop-2-enyl)cyclopentanamine
CID 106437272
2-(cyclooctylamino)-N-methylacetamide
CID 28575796
2-(cyclododecylamino)-N,N-dimethylacetamide
CID 43214559

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine?
The IUPAC name of N-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine (CID 24974469) is N-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine.
What is the SMILES notation for N-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine?
The canonical SMILES for N-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine is C=C(C)C(=C)CNC1CCCCC1.
What is the InChIKey of N-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine?
The InChIKey is OMCADOULIHDENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-10(2)11(3)9-13-12-7-5-4-6-8-12/h12-13H,1,3-9H2,2H3.
What are the key properties of N-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine?
N-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine has a molecular weight of 179.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine is sourced from PubChem (CID 24974469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).