6-methyl-N-propylocta-4,5-dien-1-amine

C12H23N — CID 134889931

IUPAC6-methyl-N-propylocta-4,5-dien-1-amine
SMILESCCCNCCCC=C=C(C)CC
InChIInChI=1S/C12H23N/c1-4-10-13-11-8-6-7-9-12(3)5-2/h7,13H,4-6,8,10-11H2,1-3H3
InChIKeyPIDNXFCAICZQET-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.28
Rot. Bonds7

About 6-methyl-N-propylocta-4,5-dien-1-amine

6-methyl-N-propylocta-4,5-dien-1-amine (PubChem CID 134889931) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 6-methyl-N-propylocta-4,5-dien-1-amine.

Molecular Properties

Compound Name6-methyl-N-propylocta-4,5-dien-1-amine
PubChem CID134889931
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name6-methyl-N-propylocta-4,5-dien-1-amine
SMILESCCCNCCCC=C=C(C)CC
InChIInChI=1S/C12H23N/c1-4-10-13-11-8-6-7-9-12(3)5-2/h7,13H,4-6,8,10-11H2,1-3H3
InChIKeyPIDNXFCAICZQET-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propylocta-4,5-dien-1-amine?
The IUPAC name of 6-methyl-N-propylocta-4,5-dien-1-amine (CID 134889931) is 6-methyl-N-propylocta-4,5-dien-1-amine.
What is the SMILES notation for 6-methyl-N-propylocta-4,5-dien-1-amine?
The canonical SMILES for 6-methyl-N-propylocta-4,5-dien-1-amine is CCCNCCCC=C=C(C)CC.
What is the InChIKey of 6-methyl-N-propylocta-4,5-dien-1-amine?
The InChIKey is PIDNXFCAICZQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-10-13-11-8-6-7-9-12(3)5-2/h7,13H,4-6,8,10-11H2,1-3H3.
What are the key properties of 6-methyl-N-propylocta-4,5-dien-1-amine?
6-methyl-N-propylocta-4,5-dien-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propylocta-4,5-dien-1-amine is sourced from PubChem (CID 134889931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).