(Z)-1-[[(Z)-3-methylpent-3-en-2-ylidene]amino]prop-1-en-2-amine

C9H16N2 — CID 166990352

IUPAC(Z)-1-[[(Z)-3-methylpent-3-en-2-ylidene]amino]prop-1-en-2-amine
SMILESC/C=C(C)\C(C)=N\C=C(\C)N
InChIInChI=1S/C9H16N2/c1-5-7(2)9(4)11-6-8(3)10/h5-6H,10H2,1-4H3/b7-5-,8-6-,11-9+
InChIKeyPBFXBHUVIFIJDM-JDDXFTJCSA-N
MW152.24 g/mol
LogP2.23
Rot. Bonds2

About (Z)-1-[[(Z)-3-methylpent-3-en-2-ylidene]amino]prop-1-en-2-amine

(Z)-1-[[(Z)-3-methylpent-3-en-2-ylidene]amino]prop-1-en-2-amine (PubChem CID 166990352) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z)-1-[[(Z)-3-methylpent-3-en-2-ylidene]amino]prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[[(Z)-3-methylpent-3-en-2-ylidene]amino]prop-1-en-2-amine
PubChem CID166990352
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z)-1-[[(Z)-3-methylpent-3-en-2-ylidene]amino]prop-1-en-2-amine
SMILESC/C=C(C)\C(C)=N\C=C(\C)N
InChIInChI=1S/C9H16N2/c1-5-7(2)9(4)11-6-8(3)10/h5-6H,10H2,1-4H3/b7-5-,8-6-,11-9+
InChIKeyPBFXBHUVIFIJDM-JDDXFTJCSA-N
XLogP2.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[[(Z)-3-methylpent-3-en-2-ylidene]amino]prop-1-en-2-amine?
The IUPAC name of (Z)-1-[[(Z)-3-methylpent-3-en-2-ylidene]amino]prop-1-en-2-amine (CID 166990352) is (Z)-1-[[(Z)-3-methylpent-3-en-2-ylidene]amino]prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-[[(Z)-3-methylpent-3-en-2-ylidene]amino]prop-1-en-2-amine?
The canonical SMILES for (Z)-1-[[(Z)-3-methylpent-3-en-2-ylidene]amino]prop-1-en-2-amine is C/C=C(C)\C(C)=N\C=C(\C)N.
What is the InChIKey of (Z)-1-[[(Z)-3-methylpent-3-en-2-ylidene]amino]prop-1-en-2-amine?
The InChIKey is PBFXBHUVIFIJDM-JDDXFTJCSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-7(2)9(4)11-6-8(3)10/h5-6H,10H2,1-4H3/b7-5-,8-6-,11-9+.
What are the key properties of (Z)-1-[[(Z)-3-methylpent-3-en-2-ylidene]amino]prop-1-en-2-amine?
(Z)-1-[[(Z)-3-methylpent-3-en-2-ylidene]amino]prop-1-en-2-amine has a molecular weight of 152.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[[(Z)-3-methylpent-3-en-2-ylidene]amino]prop-1-en-2-amine is sourced from PubChem (CID 166990352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).