methyl-[3-(2-prop-2-enylcyclohexyl)propyl]azanium

C13H26N+ — CID 20778311

IUPACmethyl-[3-(2-prop-2-enylcyclohexyl)propyl]azanium
SMILESC=CCC1CCCCC1CCC[NH2+]C
InChIInChI=1S/C13H25N/c1-3-7-12-8-4-5-9-13(12)10-6-11-14-2/h3,12-14H,1,4-11H2,2H3/p+1
InChIKeyXJMGOOIKOKDIKR-UHFFFAOYSA-O
MW196.36 g/mol
LogP2.34
Rot. Bonds6

About methyl-[3-(2-prop-2-enylcyclohexyl)propyl]azanium

methyl-[3-(2-prop-2-enylcyclohexyl)propyl]azanium (PubChem CID 20778311) has the molecular formula C13H26N+ and a molecular weight of 196.36 g/mol. Its IUPAC name is methyl-[3-(2-prop-2-enylcyclohexyl)propyl]azanium.

Molecular Properties

Compound Namemethyl-[3-(2-prop-2-enylcyclohexyl)propyl]azanium
PubChem CID20778311
Molecular FormulaC13H26N+
Molecular Weight196.36 g/mol
Exact Mass196.21
IUPAC Namemethyl-[3-(2-prop-2-enylcyclohexyl)propyl]azanium
SMILESC=CCC1CCCCC1CCC[NH2+]C
InChIInChI=1S/C13H25N/c1-3-7-12-8-4-5-9-13(12)10-6-11-14-2/h3,12-14H,1,4-11H2,2H3/p+1
InChIKeyXJMGOOIKOKDIKR-UHFFFAOYSA-O
XLogP2.34
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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-methyl-2-prop-2-enylcyclohexane
CID 15643404
[(1S,2S)-2-prop-2-enylcyclohexyl]methanol
CID 134992841
(2-pent-4-enylcyclohexyl)methanamine
CID 81010677
(2-prop-2-enylcyclobutyl)methanamine
CID 81011534
cis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine
CID 12910257
(2-hept-6-enylcyclohexyl)methanamine
CID 107010667
N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine
CID 81028737
N-[(2-prop-2-enylcyclohexyl)methyl]propan-1-amine
CID 81027769
3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine
CID 67095749
N-[(2-prop-2-enylcyclopentyl)methyl]ethanamine
CID 81034432
cis-(1S,2R)-2-prop-2-enylcyclopentan-1-amine
CID 52897209
N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine
CID 81027900

Frequently Asked Questions

What is the IUPAC name of methyl-[3-(2-prop-2-enylcyclohexyl)propyl]azanium?
The IUPAC name of methyl-[3-(2-prop-2-enylcyclohexyl)propyl]azanium (CID 20778311) is methyl-[3-(2-prop-2-enylcyclohexyl)propyl]azanium.
What is the SMILES notation for methyl-[3-(2-prop-2-enylcyclohexyl)propyl]azanium?
The canonical SMILES for methyl-[3-(2-prop-2-enylcyclohexyl)propyl]azanium is C=CCC1CCCCC1CCC[NH2+]C.
What is the InChIKey of methyl-[3-(2-prop-2-enylcyclohexyl)propyl]azanium?
The InChIKey is XJMGOOIKOKDIKR-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H25N/c1-3-7-12-8-4-5-9-13(12)10-6-11-14-2/h3,12-14H,1,4-11H2,2H3/p+1.
What are the key properties of methyl-[3-(2-prop-2-enylcyclohexyl)propyl]azanium?
methyl-[3-(2-prop-2-enylcyclohexyl)propyl]azanium has a molecular weight of 196.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(2-prop-2-enylcyclohexyl)propyl]azanium is sourced from PubChem (CID 20778311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).