(Z)-N,N-dimethyl-4-(propylideneamino)but-3-en-2-amine

C9H18N2 — CID 134357498

IUPAC(Z)-N,N-dimethyl-4-(propylideneamino)but-3-en-2-amine
SMILESCC/C=N/C=C\C(C)N(C)C
InChIInChI=1S/C9H18N2/c1-5-7-10-8-6-9(2)11(3)4/h6-9H,5H2,1-4H3/b8-6-,10-7+
InChIKeyISHAIOHMUVIQHM-GOOBONSCSA-N
MW154.26 g/mol
LogP1.93
Rot. Bonds4

About (Z)-N,N-dimethyl-4-(propylideneamino)but-3-en-2-amine

(Z)-N,N-dimethyl-4-(propylideneamino)but-3-en-2-amine (PubChem CID 134357498) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-N,N-dimethyl-4-(propylideneamino)but-3-en-2-amine.

Molecular Properties

Compound Name(Z)-N,N-dimethyl-4-(propylideneamino)but-3-en-2-amine
PubChem CID134357498
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-N,N-dimethyl-4-(propylideneamino)but-3-en-2-amine
SMILESCC/C=N/C=C\C(C)N(C)C
InChIInChI=1S/C9H18N2/c1-5-7-10-8-6-9(2)11(3)4/h6-9H,5H2,1-4H3/b8-6-,10-7+
InChIKeyISHAIOHMUVIQHM-GOOBONSCSA-N
XLogP1.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
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)-N,N-dimethyl-4-(propylideneamino)but-3-en-2-amine?
The IUPAC name of (Z)-N,N-dimethyl-4-(propylideneamino)but-3-en-2-amine (CID 134357498) is (Z)-N,N-dimethyl-4-(propylideneamino)but-3-en-2-amine.
What is the SMILES notation for (Z)-N,N-dimethyl-4-(propylideneamino)but-3-en-2-amine?
The canonical SMILES for (Z)-N,N-dimethyl-4-(propylideneamino)but-3-en-2-amine is CC/C=N/C=C\C(C)N(C)C.
What is the InChIKey of (Z)-N,N-dimethyl-4-(propylideneamino)but-3-en-2-amine?
The InChIKey is ISHAIOHMUVIQHM-GOOBONSCSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-7-10-8-6-9(2)11(3)4/h6-9H,5H2,1-4H3/b8-6-,10-7+.
What are the key properties of (Z)-N,N-dimethyl-4-(propylideneamino)but-3-en-2-amine?
(Z)-N,N-dimethyl-4-(propylideneamino)but-3-en-2-amine has a molecular weight of 154.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyl-4-(propylideneamino)but-3-en-2-amine is sourced from PubChem (CID 134357498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).