(Z)-4-[amino(ethyl)amino]but-3-ene-1,3-diamine

C6H16N4 — CID 171644196

IUPAC(Z)-4-[amino(ethyl)amino]but-3-ene-1,3-diamine
SMILESCCN(N)/C=C(\N)CCN
InChIInChI=1S/C6H16N4/c1-2-10(9)5-6(8)3-4-7/h5H,2-4,7-9H2,1H3/b6-5-
InChIKeyJINOLGNZBBPWPL-WAYWQWQTSA-N
MW144.22 g/mol
LogP-0.67
Rot. Bonds4

About (Z)-4-[amino(ethyl)amino]but-3-ene-1,3-diamine

(Z)-4-[amino(ethyl)amino]but-3-ene-1,3-diamine (PubChem CID 171644196) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is (Z)-4-[amino(ethyl)amino]but-3-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-4-[amino(ethyl)amino]but-3-ene-1,3-diamine
PubChem CID171644196
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name(Z)-4-[amino(ethyl)amino]but-3-ene-1,3-diamine
SMILESCCN(N)/C=C(\N)CCN
InChIInChI=1S/C6H16N4/c1-2-10(9)5-6(8)3-4-7/h5H,2-4,7-9H2,1H3/b6-5-
InChIKeyJINOLGNZBBPWPL-WAYWQWQTSA-N
XLogP-0.67
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[amino(hexyl)amino]pent-1-en-2-amine;ethene
CID 145052912
(Z)-1-[amino(pentyl)amino]oct-1-en-2-amine;ethene
CID 145271170
ethane;(Z)-1-N-methylbut-1-ene-1,2,4-triamine
CID 142951523
(Z)-1-[amino(5-methylhexyl)amino]pent-1-en-2-amine;ethane
CID 171532216
(Z)-1-[amino(3-methylbutyl)amino]oct-1-en-2-amine
CID 143907009
(Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine
CID 145256992
(Z)-1-[amino(cyclobutylmethyl)amino]but-1-en-2-amine
CID 145111356
[(Z)-4-amino-5-[amino(2-oxoethyl)amino]pent-4-enyl] thiohypofluorite;propan-2-amine
CID 144538545
2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane
CID 144584893
(Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine
CID 118569104
N-[(Z)-3-amino-4-[methyl(propan-2-yl)amino]but-3-enyl]acetamide
CID 142959974
(Z)-6-amino-7-[amino(ethyl)amino]-3-[3-[(2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]-4-methylphenyl]hept-6-enoic acid
CID 145208472

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[amino(ethyl)amino]but-3-ene-1,3-diamine?
The IUPAC name of (Z)-4-[amino(ethyl)amino]but-3-ene-1,3-diamine (CID 171644196) is (Z)-4-[amino(ethyl)amino]but-3-ene-1,3-diamine.
What is the SMILES notation for (Z)-4-[amino(ethyl)amino]but-3-ene-1,3-diamine?
The canonical SMILES for (Z)-4-[amino(ethyl)amino]but-3-ene-1,3-diamine is CCN(N)/C=C(\N)CCN.
What is the InChIKey of (Z)-4-[amino(ethyl)amino]but-3-ene-1,3-diamine?
The InChIKey is JINOLGNZBBPWPL-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H16N4/c1-2-10(9)5-6(8)3-4-7/h5H,2-4,7-9H2,1H3/b6-5-.
What are the key properties of (Z)-4-[amino(ethyl)amino]but-3-ene-1,3-diamine?
(Z)-4-[amino(ethyl)amino]but-3-ene-1,3-diamine has a molecular weight of 144.22 g/mol, XLogP of -0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[amino(ethyl)amino]but-3-ene-1,3-diamine is sourced from PubChem (CID 171644196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).