(2E,4E)-6-methyl-3-N-propan-2-ylhepta-2,4,6-triene-3,4-diamine

C11H20N2 — CID 134239482

IUPAC(2E,4E)-6-methyl-3-N-propan-2-ylhepta-2,4,6-triene-3,4-diamine
SMILESC=C(C)/C=C(N)\C(=C/C)NC(C)C
InChIInChI=1S/C11H20N2/c1-6-11(13-9(4)5)10(12)7-8(2)3/h6-7,9,13H,2,12H2,1,3-5H3/b10-7+,11-6-
InChIKeyWMSSEQNTWZJGKS-SJUGDSPGSA-N
MW180.29 g/mol
LogP2.31
Rot. Bonds4

About (2E,4E)-6-methyl-3-N-propan-2-ylhepta-2,4,6-triene-3,4-diamine

(2E,4E)-6-methyl-3-N-propan-2-ylhepta-2,4,6-triene-3,4-diamine (PubChem CID 134239482) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (2E,4E)-6-methyl-3-N-propan-2-ylhepta-2,4,6-triene-3,4-diamine.

Molecular Properties

Compound Name(2E,4E)-6-methyl-3-N-propan-2-ylhepta-2,4,6-triene-3,4-diamine
PubChem CID134239482
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(2E,4E)-6-methyl-3-N-propan-2-ylhepta-2,4,6-triene-3,4-diamine
SMILESC=C(C)/C=C(N)\C(=C/C)NC(C)C
InChIInChI=1S/C11H20N2/c1-6-11(13-9(4)5)10(12)7-8(2)3/h6-7,9,13H,2,12H2,1,3-5H3/b10-7+,11-6-
InChIKeyWMSSEQNTWZJGKS-SJUGDSPGSA-N
XLogP2.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.31
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 (2E,4E)-6-methyl-3-N-propan-2-ylhepta-2,4,6-triene-3,4-diamine?
The IUPAC name of (2E,4E)-6-methyl-3-N-propan-2-ylhepta-2,4,6-triene-3,4-diamine (CID 134239482) is (2E,4E)-6-methyl-3-N-propan-2-ylhepta-2,4,6-triene-3,4-diamine.
What is the SMILES notation for (2E,4E)-6-methyl-3-N-propan-2-ylhepta-2,4,6-triene-3,4-diamine?
The canonical SMILES for (2E,4E)-6-methyl-3-N-propan-2-ylhepta-2,4,6-triene-3,4-diamine is C=C(C)/C=C(N)\C(=C/C)NC(C)C.
What is the InChIKey of (2E,4E)-6-methyl-3-N-propan-2-ylhepta-2,4,6-triene-3,4-diamine?
The InChIKey is WMSSEQNTWZJGKS-SJUGDSPGSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-11(13-9(4)5)10(12)7-8(2)3/h6-7,9,13H,2,12H2,1,3-5H3/b10-7+,11-6-.
What are the key properties of (2E,4E)-6-methyl-3-N-propan-2-ylhepta-2,4,6-triene-3,4-diamine?
(2E,4E)-6-methyl-3-N-propan-2-ylhepta-2,4,6-triene-3,4-diamine has a molecular weight of 180.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-methyl-3-N-propan-2-ylhepta-2,4,6-triene-3,4-diamine is sourced from PubChem (CID 134239482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).