(1Z)-N,3-dimethylpenta-1,3,4-trien-1-amine

C7H11N — CID 176958056

IUPAC(1Z)-N,3-dimethylpenta-1,3,4-trien-1-amine
SMILESC=C=C(C)/C=C\NC
InChIInChI=1S/C7H11N/c1-4-7(2)5-6-8-3/h5-6,8H,1H2,2-3H3/b6-5-
InChIKeyTUCQRQZRGOTYNG-WAYWQWQTSA-N
MW109.17 g/mol
LogP1.45
Rot. Bonds2

About (1Z)-N,3-dimethylpenta-1,3,4-trien-1-amine

(1Z)-N,3-dimethylpenta-1,3,4-trien-1-amine (PubChem CID 176958056) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (1Z)-N,3-dimethylpenta-1,3,4-trien-1-amine.

Molecular Properties

Compound Name(1Z)-N,3-dimethylpenta-1,3,4-trien-1-amine
PubChem CID176958056
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(1Z)-N,3-dimethylpenta-1,3,4-trien-1-amine
SMILESC=C=C(C)/C=C\NC
InChIInChI=1S/C7H11N/c1-4-7(2)5-6-8-3/h5-6,8H,1H2,2-3H3/b6-5-
InChIKeyTUCQRQZRGOTYNG-WAYWQWQTSA-N
XLogP1.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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[(E)-1-chloro-3-(methylamino)prop-2-enylidene]-dimethylazanium
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(E)-N-methyl-2-[methyl(prop-1-en-2-yl)phosphanyl]ethenamine
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(1E,3Z)-2-amino-4-(methylamino)buta-1,3-diene-1-thiol
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(Z)-3-(methylamino)prop-2-enimidoyl bromide
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(1Z,3Z)-1-N,3,5-trimethylhepta-1,3-diene-1,4-diamine
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(1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine
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Frequently Asked Questions

What is the IUPAC name of (1Z)-N,3-dimethylpenta-1,3,4-trien-1-amine?
The IUPAC name of (1Z)-N,3-dimethylpenta-1,3,4-trien-1-amine (CID 176958056) is (1Z)-N,3-dimethylpenta-1,3,4-trien-1-amine.
What is the SMILES notation for (1Z)-N,3-dimethylpenta-1,3,4-trien-1-amine?
The canonical SMILES for (1Z)-N,3-dimethylpenta-1,3,4-trien-1-amine is C=C=C(C)/C=C\NC.
What is the InChIKey of (1Z)-N,3-dimethylpenta-1,3,4-trien-1-amine?
The InChIKey is TUCQRQZRGOTYNG-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H11N/c1-4-7(2)5-6-8-3/h5-6,8H,1H2,2-3H3/b6-5-.
What are the key properties of (1Z)-N,3-dimethylpenta-1,3,4-trien-1-amine?
(1Z)-N,3-dimethylpenta-1,3,4-trien-1-amine has a molecular weight of 109.17 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N,3-dimethylpenta-1,3,4-trien-1-amine is sourced from PubChem (CID 176958056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).