(Z)-1-N-[2-[[(Z)-2-aminobut-2-enyl]amino]ethyl]but-2-ene-1,2-diamine

C10H22N4 — CID 88714822

IUPAC(Z)-1-N-[2-[[(Z)-2-aminobut-2-enyl]amino]ethyl]but-2-ene-1,2-diamine
SMILESC/C=C(\N)CNCCNC/C(N)=C/C
InChIInChI=1S/C10H22N4/c1-3-9(11)7-13-5-6-14-8-10(12)4-2/h3-4,13-14H,5-8,11-12H2,1-2H3/b9-3-,10-4-
InChIKeySKFOYPGVDFMOEP-UIYSNZQUSA-N
MW198.31 g/mol
LogP-0.11
Rot. Bonds7

About (Z)-1-N-[2-[[(Z)-2-aminobut-2-enyl]amino]ethyl]but-2-ene-1,2-diamine

(Z)-1-N-[2-[[(Z)-2-aminobut-2-enyl]amino]ethyl]but-2-ene-1,2-diamine (PubChem CID 88714822) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is (Z)-1-N-[2-[[(Z)-2-aminobut-2-enyl]amino]ethyl]but-2-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-[2-[[(Z)-2-aminobut-2-enyl]amino]ethyl]but-2-ene-1,2-diamine
PubChem CID88714822
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name(Z)-1-N-[2-[[(Z)-2-aminobut-2-enyl]amino]ethyl]but-2-ene-1,2-diamine
SMILESC/C=C(\N)CNCCNC/C(N)=C/C
InChIInChI=1S/C10H22N4/c1-3-9(11)7-13-5-6-14-8-10(12)4-2/h3-4,13-14H,5-8,11-12H2,1-2H3/b9-3-,10-4-
InChIKeySKFOYPGVDFMOEP-UIYSNZQUSA-N
XLogP-0.11
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-[2-[[(Z)-2-aminobut-2-enyl]amino]ethyl]but-2-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-[2-[[(Z)-2-aminobut-2-enyl]amino]ethyl]but-2-ene-1,2-diamine (CID 88714822) is (Z)-1-N-[2-[[(Z)-2-aminobut-2-enyl]amino]ethyl]but-2-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-[2-[[(Z)-2-aminobut-2-enyl]amino]ethyl]but-2-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-[2-[[(Z)-2-aminobut-2-enyl]amino]ethyl]but-2-ene-1,2-diamine is C/C=C(\N)CNCCNC/C(N)=C/C.
What is the InChIKey of (Z)-1-N-[2-[[(Z)-2-aminobut-2-enyl]amino]ethyl]but-2-ene-1,2-diamine?
The InChIKey is SKFOYPGVDFMOEP-UIYSNZQUSA-N. The full InChI is InChI=1S/C10H22N4/c1-3-9(11)7-13-5-6-14-8-10(12)4-2/h3-4,13-14H,5-8,11-12H2,1-2H3/b9-3-,10-4-.
What are the key properties of (Z)-1-N-[2-[[(Z)-2-aminobut-2-enyl]amino]ethyl]but-2-ene-1,2-diamine?
(Z)-1-N-[2-[[(Z)-2-aminobut-2-enyl]amino]ethyl]but-2-ene-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of -0.11, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-[2-[[(Z)-2-aminobut-2-enyl]amino]ethyl]but-2-ene-1,2-diamine is sourced from PubChem (CID 88714822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).