N-hept-3-en-4-ylethanimine

C9H17N — CID 123818491

IUPACN-hept-3-en-4-ylethanimine
SMILESC/C=N/C(=CCC)CCC
InChIInChI=1S/C9H17N/c1-4-7-9(8-5-2)10-6-3/h6-7H,4-5,8H2,1-3H3/b9-7?,10-6+
InChIKeyISPFAGPECNXSKQ-CWIDIXFLSA-N
MW139.24 g/mol
LogP3.17
Rot. Bonds4

About N-hept-3-en-4-ylethanimine

N-hept-3-en-4-ylethanimine (PubChem CID 123818491) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-hept-3-en-4-ylethanimine.

Molecular Properties

Compound NameN-hept-3-en-4-ylethanimine
PubChem CID123818491
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-hept-3-en-4-ylethanimine
SMILESC/C=N/C(=CCC)CCC
InChIInChI=1S/C9H17N/c1-4-7-9(8-5-2)10-6-3/h6-7H,4-5,8H2,1-3H3/b9-7?,10-6+
InChIKeyISPFAGPECNXSKQ-CWIDIXFLSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.17
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

ethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine
CID 143978503
N-hept-2-en-3-ylethanimine
CID 23597524
ethane;N-[(Z)-pent-2-en-2-yl]ethanimine
CID 142915693
(Z)-2-(ethylideneamino)hex-1-en-1-amine
CID 90227550
4-propylnon-3-ene
CID 57321984
(2Z,5Z)-5-propylocta-2,5-diene
CID 142206656
N-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine
CID 145143647
N-[(E)-hex-3-en-3-yl]methanimine
CID 130348791
(Z)-4-[3-[(Z)-2-(ethylideneamino)pent-2-enyl]azetidin-1-yl]-4-methyliminobut-2-en-2-amine
CID 167486384
N-[(3E)-3-cyclopropyloxyhexa-1,3-dien-2-yl]ethanimine
CID 166783337
(2Z)-2-(ethylideneamino)-4-methylpenta-2,4-dien-1-amine
CID 142082963
1-hept-3-en-4-ylpyrrolidine
CID 68591319

Frequently Asked Questions

What is the IUPAC name of N-hept-3-en-4-ylethanimine?
The IUPAC name of N-hept-3-en-4-ylethanimine (CID 123818491) is N-hept-3-en-4-ylethanimine.
What is the SMILES notation for N-hept-3-en-4-ylethanimine?
The canonical SMILES for N-hept-3-en-4-ylethanimine is C/C=N/C(=CCC)CCC.
What is the InChIKey of N-hept-3-en-4-ylethanimine?
The InChIKey is ISPFAGPECNXSKQ-CWIDIXFLSA-N. The full InChI is InChI=1S/C9H17N/c1-4-7-9(8-5-2)10-6-3/h6-7H,4-5,8H2,1-3H3/b9-7?,10-6+.
What are the key properties of N-hept-3-en-4-ylethanimine?
N-hept-3-en-4-ylethanimine has a molecular weight of 139.24 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-3-en-4-ylethanimine is sourced from PubChem (CID 123818491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).