(1Z,3Z)-5-N-methyl-2-propan-2-ylhexa-1,3,5-triene-1,5-diamine

C10H18N2 — CID 89145507

IUPAC(1Z,3Z)-5-N-methyl-2-propan-2-ylhexa-1,3,5-triene-1,5-diamine
SMILESC=C(/C=C\C(=C/N)C(C)C)NC
InChIInChI=1S/C10H18N2/c1-8(2)10(7-11)6-5-9(3)12-4/h5-8,12H,3,11H2,1-2,4H3/b6-5-,10-7+
InChIKeyCLOMBBGEPZZIAB-ZZWPSLBBSA-N
MW166.27 g/mol
LogP1.77
Rot. Bonds4

About (1Z,3Z)-5-N-methyl-2-propan-2-ylhexa-1,3,5-triene-1,5-diamine

(1Z,3Z)-5-N-methyl-2-propan-2-ylhexa-1,3,5-triene-1,5-diamine (PubChem CID 89145507) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (1Z,3Z)-5-N-methyl-2-propan-2-ylhexa-1,3,5-triene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3Z)-5-N-methyl-2-propan-2-ylhexa-1,3,5-triene-1,5-diamine
PubChem CID89145507
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(1Z,3Z)-5-N-methyl-2-propan-2-ylhexa-1,3,5-triene-1,5-diamine
SMILESC=C(/C=C\C(=C/N)C(C)C)NC
InChIInChI=1S/C10H18N2/c1-8(2)10(7-11)6-5-9(3)12-4/h5-8,12H,3,11H2,1-2,4H3/b6-5-,10-7+
InChIKeyCLOMBBGEPZZIAB-ZZWPSLBBSA-N
XLogP1.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.77
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 (1Z,3Z)-5-N-methyl-2-propan-2-ylhexa-1,3,5-triene-1,5-diamine?
The IUPAC name of (1Z,3Z)-5-N-methyl-2-propan-2-ylhexa-1,3,5-triene-1,5-diamine (CID 89145507) is (1Z,3Z)-5-N-methyl-2-propan-2-ylhexa-1,3,5-triene-1,5-diamine.
What is the SMILES notation for (1Z,3Z)-5-N-methyl-2-propan-2-ylhexa-1,3,5-triene-1,5-diamine?
The canonical SMILES for (1Z,3Z)-5-N-methyl-2-propan-2-ylhexa-1,3,5-triene-1,5-diamine is C=C(/C=C\C(=C/N)C(C)C)NC.
What is the InChIKey of (1Z,3Z)-5-N-methyl-2-propan-2-ylhexa-1,3,5-triene-1,5-diamine?
The InChIKey is CLOMBBGEPZZIAB-ZZWPSLBBSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)10(7-11)6-5-9(3)12-4/h5-8,12H,3,11H2,1-2,4H3/b6-5-,10-7+.
What are the key properties of (1Z,3Z)-5-N-methyl-2-propan-2-ylhexa-1,3,5-triene-1,5-diamine?
(1Z,3Z)-5-N-methyl-2-propan-2-ylhexa-1,3,5-triene-1,5-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-N-methyl-2-propan-2-ylhexa-1,3,5-triene-1,5-diamine is sourced from PubChem (CID 89145507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).