N-[4-[2-[2-(2-ethylcyclobutyl)ethyl]cyclobutyl]butyl]methanimine

C17H31N — CID 126723930

IUPACN-[4-[2-[2-(2-ethylcyclobutyl)ethyl]cyclobutyl]butyl]methanimine
SMILESC=NCCCCC1CCC1CCC1CCC1CC
InChIInChI=1S/C17H31N/c1-3-14-7-8-16(14)10-12-17-11-9-15(17)6-4-5-13-18-2/h14-17H,2-13H2,1H3
InChIKeyWTOWERMNDGANAP-UHFFFAOYSA-N
MW249.44 g/mol
LogP5.10
Rot. Bonds9

About N-[4-[2-[2-(2-ethylcyclobutyl)ethyl]cyclobutyl]butyl]methanimine

N-[4-[2-[2-(2-ethylcyclobutyl)ethyl]cyclobutyl]butyl]methanimine (PubChem CID 126723930) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-[4-[2-[2-(2-ethylcyclobutyl)ethyl]cyclobutyl]butyl]methanimine.

Molecular Properties

Compound NameN-[4-[2-[2-(2-ethylcyclobutyl)ethyl]cyclobutyl]butyl]methanimine
PubChem CID126723930
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-[4-[2-[2-(2-ethylcyclobutyl)ethyl]cyclobutyl]butyl]methanimine
SMILESC=NCCCCC1CCC1CCC1CCC1CC
InChIInChI=1S/C17H31N/c1-3-14-7-8-16(14)10-12-17-11-9-15(17)6-4-5-13-18-2/h14-17H,2-13H2,1H3
InChIKeyWTOWERMNDGANAP-UHFFFAOYSA-N
XLogP5.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
1-ethyl-2-[2-(5-nitrosopentyl)cyclobutyl]cyclobutane
CID 90139041
trans-(1S,2S)-1-ethyl-2-heptylcyclopentane
CID 175197427
1-butyl-2-ethylcyclopentane
CID 522474
(2-ethylcyclobutyl)methanamine
CID 58519219
N-(2-ethylcyclobutyl)methanimine
CID 148740225
1-ethyl-2,3-dimethyl-4-pentylcyclohexane;octane;pentane
CID 160972744
1-butyl-2-ethyl-5-pentan-2-ylcycloheptane
CID 123958612
(1R)-1-ethyl-2-propylcyclohexane
CID 142312859
1-(6-cyclopropylhexyl)-2-ethylcyclopropane
CID 123193408
1,2-diheptylcyclopentane
CID 102061720
ethane;(2S)-1-ethyl-2-propylcyclohexane
CID 143012565

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2-ethylcyclobutyl)ethyl]cyclobutyl]butyl]methanimine?
The IUPAC name of N-[4-[2-[2-(2-ethylcyclobutyl)ethyl]cyclobutyl]butyl]methanimine (CID 126723930) is N-[4-[2-[2-(2-ethylcyclobutyl)ethyl]cyclobutyl]butyl]methanimine.
What is the SMILES notation for N-[4-[2-[2-(2-ethylcyclobutyl)ethyl]cyclobutyl]butyl]methanimine?
The canonical SMILES for N-[4-[2-[2-(2-ethylcyclobutyl)ethyl]cyclobutyl]butyl]methanimine is C=NCCCCC1CCC1CCC1CCC1CC.
What is the InChIKey of N-[4-[2-[2-(2-ethylcyclobutyl)ethyl]cyclobutyl]butyl]methanimine?
The InChIKey is WTOWERMNDGANAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-3-14-7-8-16(14)10-12-17-11-9-15(17)6-4-5-13-18-2/h14-17H,2-13H2,1H3.
What are the key properties of N-[4-[2-[2-(2-ethylcyclobutyl)ethyl]cyclobutyl]butyl]methanimine?
N-[4-[2-[2-(2-ethylcyclobutyl)ethyl]cyclobutyl]butyl]methanimine has a molecular weight of 249.44 g/mol, XLogP of 5.10, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2-ethylcyclobutyl)ethyl]cyclobutyl]butyl]methanimine is sourced from PubChem (CID 126723930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).