(2E,4Z)-N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]hepta-2,4,6-trien-2-amine

C12H19N3 — CID 145111066

IUPAC(2E,4Z)-N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]hepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C=C(/C)NC(C)C1=NCCN1
InChIInChI=1S/C12H19N3/c1-4-5-6-7-10(2)15-11(3)12-13-8-9-14-12/h4-7,11,15H,1,8-9H2,2-3H3,(H,13,14)/b6-5-,10-7+
InChIKeyFRVFQSIISFFYKR-ZZWPSLBBSA-N
MW205.31 g/mol
LogP1.61
Rot. Bonds5

About (2E,4Z)-N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]hepta-2,4,6-trien-2-amine

(2E,4Z)-N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]hepta-2,4,6-trien-2-amine (PubChem CID 145111066) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (2E,4Z)-N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]hepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]hepta-2,4,6-trien-2-amine
PubChem CID145111066
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(2E,4Z)-N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]hepta-2,4,6-trien-2-amine
SMILESC=C/C=C\C=C(/C)NC(C)C1=NCCN1
InChIInChI=1S/C12H19N3/c1-4-5-6-7-10(2)15-11(3)12-13-8-9-14-12/h4-7,11,15H,1,8-9H2,2-3H3,(H,13,14)/b6-5-,10-7+
InChIKeyFRVFQSIISFFYKR-ZZWPSLBBSA-N
XLogP1.61
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-methyl-1-prop-2-enyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]prop-2-en-1-amine
CID 68425661
N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine
CID 70599548
(E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
CID 88586966
[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine
CID 88939569
(4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole
CID 91464077
N-butan-2-yl-3-methyl-6-methylidene-5-prop-2-enylidenepyrazin-2-amine
CID 123199380
[(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine
CID 123452172
(4E,5E)-4-ethylidene-2-propan-2-yl-5-prop-2-enylidene-1H-imidazole
CID 129018850
(4E,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-1H-imidazole
CID 129019078
(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-2-propan-2-yl-1H-imidazole
CID 129189847
(4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1H-imidazole
CID 130207287
(E,4E)-N,N-dimethyl-4-(2-methyl-5-methylidene-1H-imidazol-4-ylidene)but-2-en-2-amine
CID 134299445

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]hepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4Z)-N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]hepta-2,4,6-trien-2-amine (CID 145111066) is (2E,4Z)-N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]hepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4Z)-N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]hepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4Z)-N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]hepta-2,4,6-trien-2-amine is C=C/C=C\C=C(/C)NC(C)C1=NCCN1.
What is the InChIKey of (2E,4Z)-N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]hepta-2,4,6-trien-2-amine?
The InChIKey is FRVFQSIISFFYKR-ZZWPSLBBSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-5-6-7-10(2)15-11(3)12-13-8-9-14-12/h4-7,11,15H,1,8-9H2,2-3H3,(H,13,14)/b6-5-,10-7+.
What are the key properties of (2E,4Z)-N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]hepta-2,4,6-trien-2-amine?
(2E,4Z)-N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]hepta-2,4,6-trien-2-amine has a molecular weight of 205.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]hepta-2,4,6-trien-2-amine is sourced from PubChem (CID 145111066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).