(Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine

C11H18N2 — CID 25137124

IUPAC(Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine
SMILESC=CC/N=C(C)/C=C(/C)NCC=C
InChIInChI=1S/C11H18N2/c1-5-7-12-10(3)9-11(4)13-8-6-2/h5-6,9,12H,1-2,7-8H2,3-4H3/b10-9-,13-11+
InChIKeyGTQJWXJCJXJZCR-AZQRDTPRSA-N
MW178.28 g/mol
LogP2.31
Rot. Bonds6

About (Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine

(Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine (PubChem CID 25137124) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine
PubChem CID25137124
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine
SMILESC=CC/N=C(C)/C=C(/C)NCC=C
InChIInChI=1S/C11H18N2/c1-5-7-12-10(3)9-11(4)13-8-6-2/h5-6,9,12H,1-2,7-8H2,3-4H3/b10-9-,13-11+
InChIKeyGTQJWXJCJXJZCR-AZQRDTPRSA-N
XLogP2.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,7-Dimethyl-2,3-dihydro-1H-[1,4]diazepine
CID 81731
(4E)-N-(Propan-2-yl)-4-[(propan-2-yl)imino]pent-2-en-2-amine
CID 71353734
(E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine
CID 777099
2,4,9,11-Tetramethyl-1,5,8,12-tetraazacyclotetradeca-1,3,9,11-tetraene
CID 10890274
2-(Methylamino)-4-(methylimino)-pentene-2
CID 14983634
(Z)-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 22857106
(Z)-N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
CID 49804015
N-Methyl-4-(methylimino)-2-penten-2-amine
CID 72320248
(Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 102023638
(Z)-N-propyl-4-propyliminopent-2-en-2-amine
CID 102026407
(1E,3E)-4-fluoro-N-[(Z)-4-methyliminopent-2-en-2-yl]hexa-1,3,5-trien-1-amine
CID 156184118
2-Fluoroethyl(4-iminopent-2-en-2-yl)azanium
CID 163611569

Frequently Asked Questions

What is the IUPAC name of (Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine (CID 25137124) is (Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine is C=CC/N=C(C)/C=C(/C)NCC=C.
What is the InChIKey of (Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine?
The InChIKey is GTQJWXJCJXJZCR-AZQRDTPRSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-7-12-10(3)9-11(4)13-8-6-2/h5-6,9,12H,1-2,7-8H2,3-4H3/b10-9-,13-11+.
What are the key properties of (Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine?
(Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-prop-2-enyl-4-prop-2-enyliminopent-2-en-2-amine is sourced from PubChem (CID 25137124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).