(E)-1-(pent-1-en-3-ylideneamino)-2-N-propan-2-ylprop-1-ene-1,2-diamine

C11H21N3 — CID 129204126

IUPAC(E)-1-(pent-1-en-3-ylideneamino)-2-N-propan-2-ylprop-1-ene-1,2-diamine
SMILESC=CC(CC)=N/C(N)=C(\C)NC(C)C
InChIInChI=1S/C11H21N3/c1-6-10(7-2)14-11(12)9(5)13-8(3)4/h6,8,13H,1,7,12H2,2-5H3/b11-9+,14-10?
InChIKeyXCUFKYGAHMWUOS-ZXSMMWFGSA-N
MW195.31 g/mol
LogP2.17
Rot. Bonds5

About (E)-1-(pent-1-en-3-ylideneamino)-2-N-propan-2-ylprop-1-ene-1,2-diamine

(E)-1-(pent-1-en-3-ylideneamino)-2-N-propan-2-ylprop-1-ene-1,2-diamine (PubChem CID 129204126) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (E)-1-(pent-1-en-3-ylideneamino)-2-N-propan-2-ylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-(pent-1-en-3-ylideneamino)-2-N-propan-2-ylprop-1-ene-1,2-diamine
PubChem CID129204126
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(E)-1-(pent-1-en-3-ylideneamino)-2-N-propan-2-ylprop-1-ene-1,2-diamine
SMILESC=CC(CC)=N/C(N)=C(\C)NC(C)C
InChIInChI=1S/C11H21N3/c1-6-10(7-2)14-11(12)9(5)13-8(3)4/h6,8,13H,1,7,12H2,2-5H3/b11-9+,14-10?
InChIKeyXCUFKYGAHMWUOS-ZXSMMWFGSA-N
XLogP2.17
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (E)-1-(pent-1-en-3-ylideneamino)-2-N-propan-2-ylprop-1-ene-1,2-diamine?
The IUPAC name of (E)-1-(pent-1-en-3-ylideneamino)-2-N-propan-2-ylprop-1-ene-1,2-diamine (CID 129204126) is (E)-1-(pent-1-en-3-ylideneamino)-2-N-propan-2-ylprop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-1-(pent-1-en-3-ylideneamino)-2-N-propan-2-ylprop-1-ene-1,2-diamine?
The canonical SMILES for (E)-1-(pent-1-en-3-ylideneamino)-2-N-propan-2-ylprop-1-ene-1,2-diamine is C=CC(CC)=N/C(N)=C(\C)NC(C)C.
What is the InChIKey of (E)-1-(pent-1-en-3-ylideneamino)-2-N-propan-2-ylprop-1-ene-1,2-diamine?
The InChIKey is XCUFKYGAHMWUOS-ZXSMMWFGSA-N. The full InChI is InChI=1S/C11H21N3/c1-6-10(7-2)14-11(12)9(5)13-8(3)4/h6,8,13H,1,7,12H2,2-5H3/b11-9+,14-10?.
What are the key properties of (E)-1-(pent-1-en-3-ylideneamino)-2-N-propan-2-ylprop-1-ene-1,2-diamine?
(E)-1-(pent-1-en-3-ylideneamino)-2-N-propan-2-ylprop-1-ene-1,2-diamine has a molecular weight of 195.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(pent-1-en-3-ylideneamino)-2-N-propan-2-ylprop-1-ene-1,2-diamine is sourced from PubChem (CID 129204126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).