(3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine

C11H19N — CID 144585216

IUPAC(3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine
SMILESC=C(C)/C=C\C(=C)CNC(C)C
InChIInChI=1S/C11H19N/c1-9(2)6-7-11(5)8-12-10(3)4/h6-7,10,12H,1,5,8H2,2-4H3/b7-6-
InChIKeyGQMNPHXNCKDQBX-SREVYHEPSA-N
MW165.28 g/mol
LogP2.67
Rot. Bonds5

About (3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine

(3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine (PubChem CID 144585216) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine
PubChem CID144585216
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine
SMILESC=C(C)/C=C\C(=C)CNC(C)C
InChIInChI=1S/C11H19N/c1-9(2)6-7-11(5)8-12-10(3)4/h6-7,10,12H,1,5,8H2,2-4H3/b7-6-
InChIKeyGQMNPHXNCKDQBX-SREVYHEPSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine (CID 144585216) is (3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine is C=C(C)/C=C\C(=C)CNC(C)C.
What is the InChIKey of (3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine?
The InChIKey is GQMNPHXNCKDQBX-SREVYHEPSA-N. The full InChI is InChI=1S/C11H19N/c1-9(2)6-7-11(5)8-12-10(3)4/h6-7,10,12H,1,5,8H2,2-4H3/b7-6-.
What are the key properties of (3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine?
(3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine is sourced from PubChem (CID 144585216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).