cyclopentyl-methylidene-propan-2-ylazanium

C9H18N+ — CID 91249369

IUPACcyclopentyl-methylidene-propan-2-ylazanium
SMILESC=[N+](C(C)C)C1CCCC1
InChIInChI=1S/C9H18N/c1-8(2)10(3)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3/q+1
InChIKeyARWMHNYKQRGKRQ-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.05
Rot. Bonds2

About cyclopentyl-methylidene-propan-2-ylazanium

cyclopentyl-methylidene-propan-2-ylazanium (PubChem CID 91249369) has the molecular formula C9H18N+ and a molecular weight of 140.25 g/mol. Its IUPAC name is cyclopentyl-methylidene-propan-2-ylazanium.

Molecular Properties

Compound Namecyclopentyl-methylidene-propan-2-ylazanium
PubChem CID91249369
Molecular FormulaC9H18N+
Molecular Weight140.25 g/mol
Exact Mass140.14
IUPAC Namecyclopentyl-methylidene-propan-2-ylazanium
SMILESC=[N+](C(C)C)C1CCCC1
InChIInChI=1S/C9H18N/c1-8(2)10(3)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3/q+1
InChIKeyARWMHNYKQRGKRQ-UHFFFAOYSA-N
XLogP2.05
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[(2R)-3-methylbutan-2-yl]cyclopentane
CID 59954478
carbanide;iron(2+);bis(propan-2-ylcyclopentane)
CID 162282173
methane;propan-2-ylcyclotetradecane
CID 159882779
propane;propan-2-ylcyclopentane
CID 91615250
ethane;methane;propan-2-ylcyclohexane
CID 169430642
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
N-cycloheptylmethanimine oxide
CID 163654049
benzene;propan-2-ylcyclohexane
CID 163364158
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)
CID 161375940
(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932
(3-chloro-4-methylpentan-2-yl)cyclopentane
CID 79299407
3-cyclobutylbutan-2-ol
CID 54399039

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-methylidene-propan-2-ylazanium?
The IUPAC name of cyclopentyl-methylidene-propan-2-ylazanium (CID 91249369) is cyclopentyl-methylidene-propan-2-ylazanium.
What is the SMILES notation for cyclopentyl-methylidene-propan-2-ylazanium?
The canonical SMILES for cyclopentyl-methylidene-propan-2-ylazanium is C=[N+](C(C)C)C1CCCC1.
What is the InChIKey of cyclopentyl-methylidene-propan-2-ylazanium?
The InChIKey is ARWMHNYKQRGKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N/c1-8(2)10(3)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3/q+1.
What are the key properties of cyclopentyl-methylidene-propan-2-ylazanium?
cyclopentyl-methylidene-propan-2-ylazanium has a molecular weight of 140.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-methylidene-propan-2-ylazanium is sourced from PubChem (CID 91249369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).