N-(3-butyl-2-methyloct-1-enyl)methanimine

C14H27N — CID 123742477

IUPACN-(3-butyl-2-methyloct-1-enyl)methanimine
SMILESC=NC=C(C)C(CCCC)CCCCC
InChIInChI=1S/C14H27N/c1-5-7-9-11-14(10-8-6-2)13(3)12-15-4/h12,14H,4-11H2,1-3H3
InChIKeyNTVYQLPMHXGDNY-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.98
Rot. Bonds9

About N-(3-butyl-2-methyloct-1-enyl)methanimine

N-(3-butyl-2-methyloct-1-enyl)methanimine (PubChem CID 123742477) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-(3-butyl-2-methyloct-1-enyl)methanimine.

Molecular Properties

Compound NameN-(3-butyl-2-methyloct-1-enyl)methanimine
PubChem CID123742477
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-(3-butyl-2-methyloct-1-enyl)methanimine
SMILESC=NC=C(C)C(CCCC)CCCCC
InChIInChI=1S/C14H27N/c1-5-7-9-11-14(10-8-6-2)13(3)12-15-4/h12,14H,4-11H2,1-3H3
InChIKeyNTVYQLPMHXGDNY-UHFFFAOYSA-N
XLogP4.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.98
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

N-[2-[1-(2-prop-1-enylcyclopropyl)propan-2-yl]pent-1-enyl]methanimine
CID 91209535
N-[(E)-3-cyclohexyl-2-methylprop-1-enyl]methanimine
CID 118055411
N-[2-(2-butan-2-ylcyclopropyl)prop-1-enyl]ethanimine
CID 123256793
N-(3-ethyl-2-methyloct-1-enyl)prop-1-en-1-imine
CID 123267671
(4,8-Diethyl-2,11-dimethyldodec-1-enyl)-methyl-methylideneazanium
CID 123634732
N-[(E)-2,4-dimethyl-3-methylideneoct-1-enyl]methanimine
CID 131971023
5-methyl-6-propyl-4,5-dihydro-3H-azepine
CID 134187220
N-[(Z)-7-methyl-2-(6-methylheptan-3-yl)oct-1-enyl]methanimine
CID 134313970
N-methyl-2-prop-1-en-2-ylundecan-1-imine
CID 134556371
N-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine
CID 139319938
N-[(E)-2-ethenyl-3-ethylhept-1-enyl]methanimine
CID 144119492
ethane;N-[(Z)-2,3,7-trimethyloct-1-enyl]ethanimine
CID 144380715

Frequently Asked Questions

What is the IUPAC name of N-(3-butyl-2-methyloct-1-enyl)methanimine?
The IUPAC name of N-(3-butyl-2-methyloct-1-enyl)methanimine (CID 123742477) is N-(3-butyl-2-methyloct-1-enyl)methanimine.
What is the SMILES notation for N-(3-butyl-2-methyloct-1-enyl)methanimine?
The canonical SMILES for N-(3-butyl-2-methyloct-1-enyl)methanimine is C=NC=C(C)C(CCCC)CCCCC.
What is the InChIKey of N-(3-butyl-2-methyloct-1-enyl)methanimine?
The InChIKey is NTVYQLPMHXGDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-7-9-11-14(10-8-6-2)13(3)12-15-4/h12,14H,4-11H2,1-3H3.
What are the key properties of N-(3-butyl-2-methyloct-1-enyl)methanimine?
N-(3-butyl-2-methyloct-1-enyl)methanimine has a molecular weight of 209.38 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butyl-2-methyloct-1-enyl)methanimine is sourced from PubChem (CID 123742477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).