N-[2-(3-butylcyclopropen-1-yl)ethyl]methanimine

C10H17N — CID 163978246

IUPACN-[2-(3-butylcyclopropen-1-yl)ethyl]methanimine
SMILESC=NCCC1=CC1CCCC
InChIInChI=1S/C10H17N/c1-3-4-5-9-8-10(9)6-7-11-2/h8-9H,2-7H2,1H3
InChIKeySWBGMVZJNVXPEB-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.82
Rot. Bonds6

About N-[2-(3-butylcyclopropen-1-yl)ethyl]methanimine

N-[2-(3-butylcyclopropen-1-yl)ethyl]methanimine (PubChem CID 163978246) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[2-(3-butylcyclopropen-1-yl)ethyl]methanimine.

Molecular Properties

Compound NameN-[2-(3-butylcyclopropen-1-yl)ethyl]methanimine
PubChem CID163978246
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[2-(3-butylcyclopropen-1-yl)ethyl]methanimine
SMILESC=NCCC1=CC1CCCC
InChIInChI=1S/C10H17N/c1-3-4-5-9-8-10(9)6-7-11-2/h8-9H,2-7H2,1H3
InChIKeySWBGMVZJNVXPEB-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylidene-5-methylhexyl)methanimine
CID 90954113
N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine
CID 91145112
N-[2-[1-(2-prop-1-enylcyclopropyl)propan-2-yl]pent-1-enyl]methanimine
CID 91209535
N-(4,6-dimethyldec-3-en-5-yl)methanimine
CID 91311305
8-Isothiocyanato-2,6-dimethyloct-2-ene
CID 119088423
N-(3,8-dimethylnon-7-enyl)methanimine
CID 123415175
N-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine
CID 123511738
N-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine
CID 123567686
N-(8-methyl-3-propylnon-4-en-2-yl)methanimine
CID 123669519
N-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine
CID 126690373
N-[[2-[(Z)-pent-3-enyl]cyclopropyl]methyl]ethenimine
CID 130217374
N-[2-methyl-3-[(E)-2-propylhex-1-enyl]cyclopropyl]methanimine
CID 134332940

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-butylcyclopropen-1-yl)ethyl]methanimine?
The IUPAC name of N-[2-(3-butylcyclopropen-1-yl)ethyl]methanimine (CID 163978246) is N-[2-(3-butylcyclopropen-1-yl)ethyl]methanimine.
What is the SMILES notation for N-[2-(3-butylcyclopropen-1-yl)ethyl]methanimine?
The canonical SMILES for N-[2-(3-butylcyclopropen-1-yl)ethyl]methanimine is C=NCCC1=CC1CCCC.
What is the InChIKey of N-[2-(3-butylcyclopropen-1-yl)ethyl]methanimine?
The InChIKey is SWBGMVZJNVXPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-4-5-9-8-10(9)6-7-11-2/h8-9H,2-7H2,1H3.
What are the key properties of N-[2-(3-butylcyclopropen-1-yl)ethyl]methanimine?
N-[2-(3-butylcyclopropen-1-yl)ethyl]methanimine has a molecular weight of 151.25 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-butylcyclopropen-1-yl)ethyl]methanimine is sourced from PubChem (CID 163978246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).