4-N-ethylpent-4-ene-1,4-diamine

C7H16N2 — CID 134601340

IUPAC4-N-ethylpent-4-ene-1,4-diamine
SMILESC=C(CCCN)NCC
InChIInChI=1S/C7H16N2/c1-3-9-7(2)5-4-6-8/h9H,2-6,8H2,1H3
InChIKeyYTOPUZLAYZBDLU-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.85
Rot. Bonds5

About 4-N-ethylpent-4-ene-1,4-diamine

4-N-ethylpent-4-ene-1,4-diamine (PubChem CID 134601340) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 4-N-ethylpent-4-ene-1,4-diamine.

Molecular Properties

Compound Name4-N-ethylpent-4-ene-1,4-diamine
PubChem CID134601340
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name4-N-ethylpent-4-ene-1,4-diamine
SMILESC=C(CCCN)NCC
InChIInChI=1S/C7H16N2/c1-3-9-7(2)5-4-6-8/h9H,2-6,8H2,1H3
InChIKeyYTOPUZLAYZBDLU-UHFFFAOYSA-N
XLogP0.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 170972328
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5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine
CID 146259458
5-amino-N-[2-[2-(6-aminohex-1-en-2-ylamino)ethyl-propanoylamino]ethyl]pentanamide
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N-hexyloct-1-en-2-amine
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N-ethyl-3-(methylideneamino)prop-1-en-2-amine
CID 155313721
4-amino-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
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3-(3-aminopropoxy)-N-ethylpropanamide
CID 62344045
N'-[1-(3-aminopropylamino)ethenyl]propane-1,3-diamine
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5-N-[5-(butylamino)hexa-1,5-dien-2-yl]hept-6-ene-1,5-diamine
CID 176943836

Frequently Asked Questions

What is the IUPAC name of 4-N-ethylpent-4-ene-1,4-diamine?
The IUPAC name of 4-N-ethylpent-4-ene-1,4-diamine (CID 134601340) is 4-N-ethylpent-4-ene-1,4-diamine.
What is the SMILES notation for 4-N-ethylpent-4-ene-1,4-diamine?
The canonical SMILES for 4-N-ethylpent-4-ene-1,4-diamine is C=C(CCCN)NCC.
What is the InChIKey of 4-N-ethylpent-4-ene-1,4-diamine?
The InChIKey is YTOPUZLAYZBDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-3-9-7(2)5-4-6-8/h9H,2-6,8H2,1H3.
What are the key properties of 4-N-ethylpent-4-ene-1,4-diamine?
4-N-ethylpent-4-ene-1,4-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethylpent-4-ene-1,4-diamine is sourced from PubChem (CID 134601340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).