(3Z)-5-methyl-2-prop-1-en-2-ylhexa-1,3-diene-1,1-diamine

C10H18N2 — CID 126593826

IUPAC(3Z)-5-methyl-2-prop-1-en-2-ylhexa-1,3-diene-1,1-diamine
SMILESC=C(C)C(/C=C\C(C)C)=C(N)N
InChIInChI=1S/C10H18N2/c1-7(2)5-6-9(8(3)4)10(11)12/h5-7H,3,11-12H2,1-2,4H3/b6-5-
InChIKeyAHOFEIXLXYHGKX-WAYWQWQTSA-N
MW166.27 g/mol
LogP1.90
Rot. Bonds3

About (3Z)-5-methyl-2-prop-1-en-2-ylhexa-1,3-diene-1,1-diamine

(3Z)-5-methyl-2-prop-1-en-2-ylhexa-1,3-diene-1,1-diamine (PubChem CID 126593826) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (3Z)-5-methyl-2-prop-1-en-2-ylhexa-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name(3Z)-5-methyl-2-prop-1-en-2-ylhexa-1,3-diene-1,1-diamine
PubChem CID126593826
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(3Z)-5-methyl-2-prop-1-en-2-ylhexa-1,3-diene-1,1-diamine
SMILESC=C(C)C(/C=C\C(C)C)=C(N)N
InChIInChI=1S/C10H18N2/c1-7(2)5-6-9(8(3)4)10(11)12/h5-7H,3,11-12H2,1-2,4H3/b6-5-
InChIKeyAHOFEIXLXYHGKX-WAYWQWQTSA-N
XLogP1.90
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methyl-2-prop-1-en-2-ylhexa-1,3-diene-1,1-diamine?
The IUPAC name of (3Z)-5-methyl-2-prop-1-en-2-ylhexa-1,3-diene-1,1-diamine (CID 126593826) is (3Z)-5-methyl-2-prop-1-en-2-ylhexa-1,3-diene-1,1-diamine.
What is the SMILES notation for (3Z)-5-methyl-2-prop-1-en-2-ylhexa-1,3-diene-1,1-diamine?
The canonical SMILES for (3Z)-5-methyl-2-prop-1-en-2-ylhexa-1,3-diene-1,1-diamine is C=C(C)C(/C=C\C(C)C)=C(N)N.
What is the InChIKey of (3Z)-5-methyl-2-prop-1-en-2-ylhexa-1,3-diene-1,1-diamine?
The InChIKey is AHOFEIXLXYHGKX-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H18N2/c1-7(2)5-6-9(8(3)4)10(11)12/h5-7H,3,11-12H2,1-2,4H3/b6-5-.
What are the key properties of (3Z)-5-methyl-2-prop-1-en-2-ylhexa-1,3-diene-1,1-diamine?
(3Z)-5-methyl-2-prop-1-en-2-ylhexa-1,3-diene-1,1-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methyl-2-prop-1-en-2-ylhexa-1,3-diene-1,1-diamine is sourced from PubChem (CID 126593826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).