N-(7-cyclobutyloct-7-enyl)methanimine;2-cyclopropyl-N-ethylethanimine;hexane;2-methylbut-1-ene;2-methylbut-2-ene

C36H70N2 — CID 143871731

IUPACN-(7-cyclobutyloct-7-enyl)methanimine;2-cyclopropyl-N-ethylethanimine;hexane;2-methylbut-1-ene;2-methylbut-2-ene
SMILESC=C(C)CC.C=NCCCCCCC(=C)C1CCC1.CC/N=C/CC1CC1.CC=C(C)C.CCCCCC
InChIInChI=1S/C13H23N.C7H13N.C6H14.2C5H10/c1-12(13-9-7-10-13)8-5-3-4-6-11-14-2;1-2-8-6-5-7-3-4-7;1-3-5-6-4-2;2*1-4-5(2)3/h13H,1-11H2;6-7H,2-5H2,1H3;3-6H2,1-2H3;4H,1-3H3;2,4H2,1,3H3/b;8-6+;;;
InChIKeyZQCAKDSCKYWPQK-AJLIAWONSA-N
MW530.97 g/mol
LogP12.40
Rot. Bonds15

About N-(7-cyclobutyloct-7-enyl)methanimine;2-cyclopropyl-N-ethylethanimine;hexane;2-methylbut-1-ene;2-methylbut-2-ene

N-(7-cyclobutyloct-7-enyl)methanimine;2-cyclopropyl-N-ethylethanimine;hexane;2-methylbut-1-ene;2-methylbut-2-ene (PubChem CID 143871731) has the molecular formula C36H70N2 and a molecular weight of 530.97 g/mol. Its IUPAC name is N-(7-cyclobutyloct-7-enyl)methanimine;2-cyclopropyl-N-ethylethanimine;hexane;2-methylbut-1-ene;2-methylbut-2-ene.

Molecular Properties

Compound NameN-(7-cyclobutyloct-7-enyl)methanimine;2-cyclopropyl-N-ethylethanimine;hexane;2-methylbut-1-ene;2-methylbut-2-ene
PubChem CID143871731
Molecular FormulaC36H70N2
Molecular Weight530.97 g/mol
Exact Mass530.55
IUPAC NameN-(7-cyclobutyloct-7-enyl)methanimine;2-cyclopropyl-N-ethylethanimine;hexane;2-methylbut-1-ene;2-methylbut-2-ene
SMILESC=C(C)CC.C=NCCCCCCC(=C)C1CCC1.CC/N=C/CC1CC1.CC=C(C)C.CCCCCC
InChIInChI=1S/C13H23N.C7H13N.C6H14.2C5H10/c1-12(13-9-7-10-13)8-5-3-4-6-11-14-2;1-2-8-6-5-7-3-4-7;1-3-5-6-4-2;2*1-4-5(2)3/h13H,1-11H2;6-7H,2-5H2,1H3;3-6H2,1-2H3;4H,1-3H3;2,4H2,1,3H3/b;8-6+;;;
InChIKeyZQCAKDSCKYWPQK-AJLIAWONSA-N
XLogP12.40
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.97
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-prop-2-enyl-N-[5-(3-prop-2-enyloctylideneamino)pentyl]octan-1-imine
CID 88610262
1-(2-bicyclo[1.1.0]butanyl)-N-(4-ethylidene-6-methyl-2-propan-2-ylnonyl)methanimine
CID 124029061
4-butyl-3-(cyclopropylidenemethyl)-N-methyl-N-[5-methyl-6-(2-methylbutylimino)-2-propylhexyl]dodeca-4,5,6,7,8,9-hexaen-1-amine
CID 163501269

Frequently Asked Questions

What is the IUPAC name of N-(7-cyclobutyloct-7-enyl)methanimine;2-cyclopropyl-N-ethylethanimine;hexane;2-methylbut-1-ene;2-methylbut-2-ene?
The IUPAC name of N-(7-cyclobutyloct-7-enyl)methanimine;2-cyclopropyl-N-ethylethanimine;hexane;2-methylbut-1-ene;2-methylbut-2-ene (CID 143871731) is N-(7-cyclobutyloct-7-enyl)methanimine;2-cyclopropyl-N-ethylethanimine;hexane;2-methylbut-1-ene;2-methylbut-2-ene.
What is the SMILES notation for N-(7-cyclobutyloct-7-enyl)methanimine;2-cyclopropyl-N-ethylethanimine;hexane;2-methylbut-1-ene;2-methylbut-2-ene?
The canonical SMILES for N-(7-cyclobutyloct-7-enyl)methanimine;2-cyclopropyl-N-ethylethanimine;hexane;2-methylbut-1-ene;2-methylbut-2-ene is C=C(C)CC.C=NCCCCCCC(=C)C1CCC1.CC/N=C/CC1CC1.CC=C(C)C.CCCCCC.
What is the InChIKey of N-(7-cyclobutyloct-7-enyl)methanimine;2-cyclopropyl-N-ethylethanimine;hexane;2-methylbut-1-ene;2-methylbut-2-ene?
The InChIKey is ZQCAKDSCKYWPQK-AJLIAWONSA-N. The full InChI is InChI=1S/C13H23N.C7H13N.C6H14.2C5H10/c1-12(13-9-7-10-13)8-5-3-4-6-11-14-2;1-2-8-6-5-7-3-4-7;1-3-5-6-4-2;2*1-4-5(2)3/h13H,1-11H2;6-7H,2-5H2,1H3;3-6H2,1-2H3;4H,1-3H3;2,4H2,1,3H3/b;8-6+;;;.
What are the key properties of N-(7-cyclobutyloct-7-enyl)methanimine;2-cyclopropyl-N-ethylethanimine;hexane;2-methylbut-1-ene;2-methylbut-2-ene?
N-(7-cyclobutyloct-7-enyl)methanimine;2-cyclopropyl-N-ethylethanimine;hexane;2-methylbut-1-ene;2-methylbut-2-ene has a molecular weight of 530.97 g/mol, XLogP of 12.40, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyclobutyloct-7-enyl)methanimine;2-cyclopropyl-N-ethylethanimine;hexane;2-methylbut-1-ene;2-methylbut-2-ene is sourced from PubChem (CID 143871731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).