N-(3-ethylidene-5-methylhexyl)methanimine

C10H19N — CID 90954113

IUPACN-(3-ethylidene-5-methylhexyl)methanimine
SMILESC=NCCC(=CC)CC(C)C
InChIInChI=1S/C10H19N/c1-5-10(6-7-11-4)8-9(2)3/h5,9H,4,6-8H2,1-3H3
InChIKeyXNARQQDJXQVFSA-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.07
Rot. Bonds5

About N-(3-ethylidene-5-methylhexyl)methanimine

N-(3-ethylidene-5-methylhexyl)methanimine (PubChem CID 90954113) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-(3-ethylidene-5-methylhexyl)methanimine.

Molecular Properties

Compound NameN-(3-ethylidene-5-methylhexyl)methanimine
PubChem CID90954113
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-(3-ethylidene-5-methylhexyl)methanimine
SMILESC=NCCC(=CC)CC(C)C
InChIInChI=1S/C10H19N/c1-5-10(6-7-11-4)8-9(2)3/h5,9H,4,6-8H2,1-3H3
InChIKeyXNARQQDJXQVFSA-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.07
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

4-ethylidene-2,6-dimethylheptane
CID 102206987
4-ethylidene-2-methyloctadecane
CID 173360395
ethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine
CID 143325011
2,4-dimethylpent-1-ene;ethane
CID 143336990
(Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine
CID 129093780
(Z)-N,3-dimethyl-N'-methylidenepent-2-ene-1,5-diimine
CID 163421984
N-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine
CID 139299399
N'-ethenyl-3-methyl-N-methylidenebutanimidamide
CID 178151525
(2E,4E)-5-ethyl-7-methylocta-2,4-diene
CID 173194163
(2E,3S)-2-ethylidene-3,5-dimethylhex-5-en-1-amine
CID 174019086
5-methyl-N-prop-1-en-2-ylhex-1-en-3-imine
CID 145061781
(3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene
CID 143472729

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylidene-5-methylhexyl)methanimine?
The IUPAC name of N-(3-ethylidene-5-methylhexyl)methanimine (CID 90954113) is N-(3-ethylidene-5-methylhexyl)methanimine.
What is the SMILES notation for N-(3-ethylidene-5-methylhexyl)methanimine?
The canonical SMILES for N-(3-ethylidene-5-methylhexyl)methanimine is C=NCCC(=CC)CC(C)C.
What is the InChIKey of N-(3-ethylidene-5-methylhexyl)methanimine?
The InChIKey is XNARQQDJXQVFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-5-10(6-7-11-4)8-9(2)3/h5,9H,4,6-8H2,1-3H3.
What are the key properties of N-(3-ethylidene-5-methylhexyl)methanimine?
N-(3-ethylidene-5-methylhexyl)methanimine has a molecular weight of 153.27 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylidene-5-methylhexyl)methanimine is sourced from PubChem (CID 90954113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).