(3Z)-3-N-methyl-4-N-propan-2-ylhexa-1,3,5-triene-3,4-diamine

C10H18N2 — CID 178136835

IUPAC(3Z)-3-N-methyl-4-N-propan-2-ylhexa-1,3,5-triene-3,4-diamine
SMILESC=C/C(NC)=C(\C=C)NC(C)C
InChIInChI=1S/C10H18N2/c1-6-9(11-5)10(7-2)12-8(3)4/h6-8,11-12H,1-2H2,3-5H3/b10-9-
InChIKeyJCYCQJWMSHLZGQ-KTKRTIGZSA-N
MW166.27 g/mol
LogP1.79
Rot. Bonds5

About (3Z)-3-N-methyl-4-N-propan-2-ylhexa-1,3,5-triene-3,4-diamine

(3Z)-3-N-methyl-4-N-propan-2-ylhexa-1,3,5-triene-3,4-diamine (PubChem CID 178136835) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (3Z)-3-N-methyl-4-N-propan-2-ylhexa-1,3,5-triene-3,4-diamine.

Molecular Properties

Compound Name(3Z)-3-N-methyl-4-N-propan-2-ylhexa-1,3,5-triene-3,4-diamine
PubChem CID178136835
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(3Z)-3-N-methyl-4-N-propan-2-ylhexa-1,3,5-triene-3,4-diamine
SMILESC=C/C(NC)=C(\C=C)NC(C)C
InChIInChI=1S/C10H18N2/c1-6-9(11-5)10(7-2)12-8(3)4/h6-8,11-12H,1-2H2,3-5H3/b10-9-
InChIKeyJCYCQJWMSHLZGQ-KTKRTIGZSA-N
XLogP1.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.79
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)-3-N-methyl-4-N-propan-2-ylhexa-1,3,5-triene-3,4-diamine?
The IUPAC name of (3Z)-3-N-methyl-4-N-propan-2-ylhexa-1,3,5-triene-3,4-diamine (CID 178136835) is (3Z)-3-N-methyl-4-N-propan-2-ylhexa-1,3,5-triene-3,4-diamine.
What is the SMILES notation for (3Z)-3-N-methyl-4-N-propan-2-ylhexa-1,3,5-triene-3,4-diamine?
The canonical SMILES for (3Z)-3-N-methyl-4-N-propan-2-ylhexa-1,3,5-triene-3,4-diamine is C=C/C(NC)=C(\C=C)NC(C)C.
What is the InChIKey of (3Z)-3-N-methyl-4-N-propan-2-ylhexa-1,3,5-triene-3,4-diamine?
The InChIKey is JCYCQJWMSHLZGQ-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-9(11-5)10(7-2)12-8(3)4/h6-8,11-12H,1-2H2,3-5H3/b10-9-.
What are the key properties of (3Z)-3-N-methyl-4-N-propan-2-ylhexa-1,3,5-triene-3,4-diamine?
(3Z)-3-N-methyl-4-N-propan-2-ylhexa-1,3,5-triene-3,4-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-N-methyl-4-N-propan-2-ylhexa-1,3,5-triene-3,4-diamine is sourced from PubChem (CID 178136835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).