5-methyl-N-(2-methylpropyl)hexa-3,5-dien-1-amine

C11H21N — CID 79598913

IUPAC5-methyl-N-(2-methylpropyl)hexa-3,5-dien-1-amine
SMILESC=C(C)C=CCCNCC(C)C
InChIInChI=1S/C11H21N/c1-10(2)7-5-6-8-12-9-11(3)4/h5,7,11-12H,1,6,8-9H2,2-4H3
InChIKeyRRCVXWBUKYKKLE-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.75
Rot. Bonds6

About 5-methyl-N-(2-methylpropyl)hexa-3,5-dien-1-amine

5-methyl-N-(2-methylpropyl)hexa-3,5-dien-1-amine (PubChem CID 79598913) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 5-methyl-N-(2-methylpropyl)hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methylpropyl)hexa-3,5-dien-1-amine
PubChem CID79598913
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name5-methyl-N-(2-methylpropyl)hexa-3,5-dien-1-amine
SMILESC=C(C)C=CCCNCC(C)C
InChIInChI=1S/C11H21N/c1-10(2)7-5-6-8-12-9-11(3)4/h5,7,11-12H,1,6,8-9H2,2-4H3
InChIKeyRRCVXWBUKYKKLE-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylpropyl)hexa-3,5-dien-1-amine?
The IUPAC name of 5-methyl-N-(2-methylpropyl)hexa-3,5-dien-1-amine (CID 79598913) is 5-methyl-N-(2-methylpropyl)hexa-3,5-dien-1-amine.
What is the SMILES notation for 5-methyl-N-(2-methylpropyl)hexa-3,5-dien-1-amine?
The canonical SMILES for 5-methyl-N-(2-methylpropyl)hexa-3,5-dien-1-amine is C=C(C)C=CCCNCC(C)C.
What is the InChIKey of 5-methyl-N-(2-methylpropyl)hexa-3,5-dien-1-amine?
The InChIKey is RRCVXWBUKYKKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2)7-5-6-8-12-9-11(3)4/h5,7,11-12H,1,6,8-9H2,2-4H3.
What are the key properties of 5-methyl-N-(2-methylpropyl)hexa-3,5-dien-1-amine?
5-methyl-N-(2-methylpropyl)hexa-3,5-dien-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylpropyl)hexa-3,5-dien-1-amine is sourced from PubChem (CID 79598913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).