N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine

C10H17N — CID 126593521

IUPACN-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine
SMILESC=C/C(=C(C)/N=C/C)C(C)C
InChIInChI=1S/C10H17N/c1-6-10(8(3)4)9(5)11-7-2/h6-8H,1H2,2-5H3/b10-9-,11-7+
InChIKeyKBMWAXGFLPIKSP-IRLYEXJDSA-N
MW151.25 g/mol
LogP3.19
Rot. Bonds3

About N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine

N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine (PubChem CID 126593521) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine
PubChem CID126593521
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine
SMILESC=C/C(=C(C)/N=C/C)C(C)C
InChIInChI=1S/C10H17N/c1-6-10(8(3)4)9(5)11-7-2/h6-8H,1H2,2-5H3/b10-9-,11-7+
InChIKeyKBMWAXGFLPIKSP-IRLYEXJDSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene
CID 145336445
N-[(E)-3-ethenylsulfanylbut-2-en-2-yl]ethanimine
CID 155130289
4,5-difluoro-3-propan-2-ylhepta-1,3,5-triene
CID 123433916
N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine
CID 130348009
(3E)-6-methyl-5-methylidene-3-propan-2-yl-N-prop-1-en-2-ylhepta-1,3-dien-4-amine
CID 144792182
N-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine
CID 138528700
N-[(4Z)-2,5-dimethylhepta-2,4,6-trien-3-yl]ethanimine
CID 166650843
1-ethyl-2-(3-propan-2-ylpenta-2,4-dien-2-yl)benzene
CID 123469974
(2E)-3-(ethylideneamino)-N,4-dimethylhexa-2,5-dien-2-amine
CID 142913403
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate
CID 141187712
(3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene
CID 143832543

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine?
The IUPAC name of N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine (CID 126593521) is N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine?
The canonical SMILES for N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine is C=C/C(=C(C)/N=C/C)C(C)C.
What is the InChIKey of N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine?
The InChIKey is KBMWAXGFLPIKSP-IRLYEXJDSA-N. The full InChI is InChI=1S/C10H17N/c1-6-10(8(3)4)9(5)11-7-2/h6-8H,1H2,2-5H3/b10-9-,11-7+.
What are the key properties of N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine?
N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine has a molecular weight of 151.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine is sourced from PubChem (CID 126593521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).