(1Z,3E)-1-N-methyl-3-prop-2-ynylhexa-1,3-diene-1,2-diamine

C10H16N2 — CID 130372367

IUPAC(1Z,3E)-1-N-methyl-3-prop-2-ynylhexa-1,3-diene-1,2-diamine
SMILESC#CCC(=C\CC)/C(N)=C/NC
InChIInChI=1S/C10H16N2/c1-4-6-9(7-5-2)10(11)8-12-3/h1,7-8,12H,5-6,11H2,2-3H3/b9-7+,10-8-
InChIKeyQWNQBRREJNMDHZ-ZWOQCJTASA-N
MW164.25 g/mol
LogP1.37
Rot. Bonds4

About (1Z,3E)-1-N-methyl-3-prop-2-ynylhexa-1,3-diene-1,2-diamine

(1Z,3E)-1-N-methyl-3-prop-2-ynylhexa-1,3-diene-1,2-diamine (PubChem CID 130372367) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (1Z,3E)-1-N-methyl-3-prop-2-ynylhexa-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name(1Z,3E)-1-N-methyl-3-prop-2-ynylhexa-1,3-diene-1,2-diamine
PubChem CID130372367
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(1Z,3E)-1-N-methyl-3-prop-2-ynylhexa-1,3-diene-1,2-diamine
SMILESC#CCC(=C\CC)/C(N)=C/NC
InChIInChI=1S/C10H16N2/c1-4-6-9(7-5-2)10(11)8-12-3/h1,7-8,12H,5-6,11H2,2-3H3/b9-7+,10-8-
InChIKeyQWNQBRREJNMDHZ-ZWOQCJTASA-N
XLogP1.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-amino-N-methylpent-2-enamide
CID 166472406
(E)-2-tert-butyl-N-methylpent-1-en-4-yn-1-amine
CID 130178755
(Z)-2-aminopent-2-enenitrile
CID 21160287
(2Z,4E)-6-fluoro-1-N-methyl-3-prop-2-ynylhexa-2,4-diene-1,5-diamine
CID 167244732
(3E,5E)-4,5-diethylocta-3,5-diene
CID 5368963
(E,3Z)-4-(aminomethyl)-3-propylidenehept-4-enoic acid
CID 144709720
(Z)-2-aminopent-2-enamide
CID 19089602
(Z)-2-ethyl-N-methylpent-2-enamide
CID 177053955
11-methyl-6-propylidenedodec-1-yn-5-one
CID 123509772
(3S)-4-methoxyhept-4-en-1-yn-3-amine
CID 167077103
(3E)-2-methylhexa-1,3-dien-3-amine
CID 130242711
(Z)-hex-3-en-3-amine
CID 18331654

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1-N-methyl-3-prop-2-ynylhexa-1,3-diene-1,2-diamine?
The IUPAC name of (1Z,3E)-1-N-methyl-3-prop-2-ynylhexa-1,3-diene-1,2-diamine (CID 130372367) is (1Z,3E)-1-N-methyl-3-prop-2-ynylhexa-1,3-diene-1,2-diamine.
What is the SMILES notation for (1Z,3E)-1-N-methyl-3-prop-2-ynylhexa-1,3-diene-1,2-diamine?
The canonical SMILES for (1Z,3E)-1-N-methyl-3-prop-2-ynylhexa-1,3-diene-1,2-diamine is C#CCC(=C\CC)/C(N)=C/NC.
What is the InChIKey of (1Z,3E)-1-N-methyl-3-prop-2-ynylhexa-1,3-diene-1,2-diamine?
The InChIKey is QWNQBRREJNMDHZ-ZWOQCJTASA-N. The full InChI is InChI=1S/C10H16N2/c1-4-6-9(7-5-2)10(11)8-12-3/h1,7-8,12H,5-6,11H2,2-3H3/b9-7+,10-8-.
What are the key properties of (1Z,3E)-1-N-methyl-3-prop-2-ynylhexa-1,3-diene-1,2-diamine?
(1Z,3E)-1-N-methyl-3-prop-2-ynylhexa-1,3-diene-1,2-diamine has a molecular weight of 164.25 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-N-methyl-3-prop-2-ynylhexa-1,3-diene-1,2-diamine is sourced from PubChem (CID 130372367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).