(2Z,4Z)-3-propan-2-ylhexa-2,4-diene-1,6-diamine

C9H18N2 — CID 89150495

IUPAC(2Z,4Z)-3-propan-2-ylhexa-2,4-diene-1,6-diamine
SMILESCC(C)C(/C=C\CN)=C/CN
InChIInChI=1S/C9H18N2/c1-8(2)9(5-7-11)4-3-6-10/h3-5,8H,6-7,10-11H2,1-2H3/b4-3-,9-5+
InChIKeyMMBURVDQGCETAR-XBURUKCPSA-N
MW154.26 g/mol
LogP1.04
Rot. Bonds4

About (2Z,4Z)-3-propan-2-ylhexa-2,4-diene-1,6-diamine

(2Z,4Z)-3-propan-2-ylhexa-2,4-diene-1,6-diamine (PubChem CID 89150495) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (2Z,4Z)-3-propan-2-ylhexa-2,4-diene-1,6-diamine.

Molecular Properties

Compound Name(2Z,4Z)-3-propan-2-ylhexa-2,4-diene-1,6-diamine
PubChem CID89150495
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(2Z,4Z)-3-propan-2-ylhexa-2,4-diene-1,6-diamine
SMILESCC(C)C(/C=C\CN)=C/CN
InChIInChI=1S/C9H18N2/c1-8(2)9(5-7-11)4-3-6-10/h3-5,8H,6-7,10-11H2,1-2H3/b4-3-,9-5+
InChIKeyMMBURVDQGCETAR-XBURUKCPSA-N
XLogP1.04
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.04
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 (2Z,4Z)-3-propan-2-ylhexa-2,4-diene-1,6-diamine?
The IUPAC name of (2Z,4Z)-3-propan-2-ylhexa-2,4-diene-1,6-diamine (CID 89150495) is (2Z,4Z)-3-propan-2-ylhexa-2,4-diene-1,6-diamine.
What is the SMILES notation for (2Z,4Z)-3-propan-2-ylhexa-2,4-diene-1,6-diamine?
The canonical SMILES for (2Z,4Z)-3-propan-2-ylhexa-2,4-diene-1,6-diamine is CC(C)C(/C=C\CN)=C/CN.
What is the InChIKey of (2Z,4Z)-3-propan-2-ylhexa-2,4-diene-1,6-diamine?
The InChIKey is MMBURVDQGCETAR-XBURUKCPSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)9(5-7-11)4-3-6-10/h3-5,8H,6-7,10-11H2,1-2H3/b4-3-,9-5+.
What are the key properties of (2Z,4Z)-3-propan-2-ylhexa-2,4-diene-1,6-diamine?
(2Z,4Z)-3-propan-2-ylhexa-2,4-diene-1,6-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-propan-2-ylhexa-2,4-diene-1,6-diamine is sourced from PubChem (CID 89150495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).