N-(2-ethenyl-2-methylhexyl)cyclopropanamine

C12H23N — CID 102641141

IUPACN-(2-ethenyl-2-methylhexyl)cyclopropanamine
SMILESC=CC(C)(CCCC)CNC1CC1
InChIInChI=1S/C12H23N/c1-4-6-9-12(3,5-2)10-13-11-7-8-11/h5,11,13H,2,4,6-10H2,1,3H3
InChIKeyHOZMUDYVNGQTIC-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.12
Rot. Bonds7

About N-(2-ethenyl-2-methylhexyl)cyclopropanamine

N-(2-ethenyl-2-methylhexyl)cyclopropanamine (PubChem CID 102641141) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(2-ethenyl-2-methylhexyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-ethenyl-2-methylhexyl)cyclopropanamine
PubChem CID102641141
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(2-ethenyl-2-methylhexyl)cyclopropanamine
SMILESC=CC(C)(CCCC)CNC1CC1
InChIInChI=1S/C12H23N/c1-4-6-9-12(3,5-2)10-13-11-7-8-11/h5,11,13H,2,4,6-10H2,1,3H3
InChIKeyHOZMUDYVNGQTIC-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.12
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-[2-(2-ethylsulfanylethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641265
N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-enyl]cyclopropanamine
CID 102641239
N-[2-(ethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641172
N-(2-ethenyl-2,4-dimethylheptyl)cyclopropanamine
CID 102641124
N-(2,2-dimethyloctyl)cyclopropanamine
CID 62724340
N-(2,2-dimethylnonyl)cyclopropanamine
CID 63523416
N-[2-(cyclopropylmethoxymethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 106931005
1-(cyclopropylamino)-2-methyloctan-2-ol
CID 62774325
N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641182
3-(bromomethyl)-3-methyldodec-1-ene
CID 102642280
N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641139
N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine
CID 107053624

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyl-2-methylhexyl)cyclopropanamine?
The IUPAC name of N-(2-ethenyl-2-methylhexyl)cyclopropanamine (CID 102641141) is N-(2-ethenyl-2-methylhexyl)cyclopropanamine.
What is the SMILES notation for N-(2-ethenyl-2-methylhexyl)cyclopropanamine?
The canonical SMILES for N-(2-ethenyl-2-methylhexyl)cyclopropanamine is C=CC(C)(CCCC)CNC1CC1.
What is the InChIKey of N-(2-ethenyl-2-methylhexyl)cyclopropanamine?
The InChIKey is HOZMUDYVNGQTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-6-9-12(3,5-2)10-13-11-7-8-11/h5,11,13H,2,4,6-10H2,1,3H3.
What are the key properties of N-(2-ethenyl-2-methylhexyl)cyclopropanamine?
N-(2-ethenyl-2-methylhexyl)cyclopropanamine has a molecular weight of 181.32 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyl-2-methylhexyl)cyclopropanamine is sourced from PubChem (CID 102641141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).