N-(3-ethylhex-1-en-2-yl)propan-1-imine

C11H21N — CID 143763220

IUPACN-(3-ethylhex-1-en-2-yl)propan-1-imine
SMILESC=C(/N=C/CC)C(CC)CCC
InChIInChI=1S/C11H21N/c1-5-8-11(7-3)10(4)12-9-6-2/h9,11H,4-8H2,1-3H3/b12-9+
InChIKeyVQNRSFNCTJPXPT-FMIVXFBMSA-N
MW167.30 g/mol
LogP3.81
Rot. Bonds6

About N-(3-ethylhex-1-en-2-yl)propan-1-imine

N-(3-ethylhex-1-en-2-yl)propan-1-imine (PubChem CID 143763220) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-(3-ethylhex-1-en-2-yl)propan-1-imine.

Molecular Properties

Compound NameN-(3-ethylhex-1-en-2-yl)propan-1-imine
PubChem CID143763220
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-(3-ethylhex-1-en-2-yl)propan-1-imine
SMILESC=C(/N=C/CC)C(CC)CCC
InChIInChI=1S/C11H21N/c1-5-8-11(7-3)10(4)12-9-6-2/h9,11H,4-8H2,1-3H3/b12-9+
InChIKeyVQNRSFNCTJPXPT-FMIVXFBMSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methyl-2-propan-2-ylbutyl)-3H-pyrrole
CID 58164963
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CID 59584690
2-methyl-N-(5-methylcyclopenten-1-yl)propan-1-imine
CID 89211315
3,4,4a,5-Tetrahydro-1,7-naphthyridine
CID 90904655
3-methyl-N-(4-methylhex-1-en-2-yl)-2-methylidenebutan-1-imine
CID 91286246
N-[3-[(5R)-2,5-dimethylcycloheptyl]prop-1-en-2-yl]ethanimine
CID 117627425
N-(2-ethyl-4-methylpent-4-enyl)-1-(2-methylcyclopropyl)methanimine
CID 123433831
N-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine
CID 123731062
3-ethyl-N-hexan-2-ylhex-5-en-1-imine
CID 123780094
2,2-dimethyl-4-prop-1-en-2-yl-4,5-dihydro-3H-pyridine
CID 124015226
(2S)-3-methyl-N-oct-1-en-2-yl-2-propan-2-ylpenta-3,4-dien-1-imine
CID 126592698
3,4-Dimethyl-2-methylidene-5-propan-2-yl-3,4-dihydropyrrole
CID 126733586

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylhex-1-en-2-yl)propan-1-imine?
The IUPAC name of N-(3-ethylhex-1-en-2-yl)propan-1-imine (CID 143763220) is N-(3-ethylhex-1-en-2-yl)propan-1-imine.
What is the SMILES notation for N-(3-ethylhex-1-en-2-yl)propan-1-imine?
The canonical SMILES for N-(3-ethylhex-1-en-2-yl)propan-1-imine is C=C(/N=C/CC)C(CC)CCC.
What is the InChIKey of N-(3-ethylhex-1-en-2-yl)propan-1-imine?
The InChIKey is VQNRSFNCTJPXPT-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H21N/c1-5-8-11(7-3)10(4)12-9-6-2/h9,11H,4-8H2,1-3H3/b12-9+.
What are the key properties of N-(3-ethylhex-1-en-2-yl)propan-1-imine?
N-(3-ethylhex-1-en-2-yl)propan-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylhex-1-en-2-yl)propan-1-imine is sourced from PubChem (CID 143763220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).