(5E)-3-methylundeca-5,10-dien-3-amine

C12H23N — CID 20518063

IUPAC(5E)-3-methylundeca-5,10-dien-3-amine
SMILESC=CCCC/C=C/CC(C)(N)CC
InChIInChI=1S/C12H23N/c1-4-6-7-8-9-10-11-12(3,13)5-2/h4,9-10H,1,5-8,11,13H2,2-3H3/b10-9+
InChIKeyXHYYLFSRCTZDNQ-MDZDMXLPSA-N
MW181.32 g/mol
LogP3.42
Rot. Bonds7

About (5E)-3-methylundeca-5,10-dien-3-amine

(5E)-3-methylundeca-5,10-dien-3-amine (PubChem CID 20518063) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (5E)-3-methylundeca-5,10-dien-3-amine.

Molecular Properties

Compound Name(5E)-3-methylundeca-5,10-dien-3-amine
PubChem CID20518063
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(5E)-3-methylundeca-5,10-dien-3-amine
SMILESC=CCCC/C=C/CC(C)(N)CC
InChIInChI=1S/C12H23N/c1-4-6-7-8-9-10-11-12(3,13)5-2/h4,9-10H,1,5-8,11,13H2,2-3H3/b10-9+
InChIKeyXHYYLFSRCTZDNQ-MDZDMXLPSA-N
XLogP3.42
TPSA26.02 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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-methylundeca-5,10-dien-3-amine?
The IUPAC name of (5E)-3-methylundeca-5,10-dien-3-amine (CID 20518063) is (5E)-3-methylundeca-5,10-dien-3-amine.
What is the SMILES notation for (5E)-3-methylundeca-5,10-dien-3-amine?
The canonical SMILES for (5E)-3-methylundeca-5,10-dien-3-amine is C=CCCC/C=C/CC(C)(N)CC.
What is the InChIKey of (5E)-3-methylundeca-5,10-dien-3-amine?
The InChIKey is XHYYLFSRCTZDNQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H23N/c1-4-6-7-8-9-10-11-12(3,13)5-2/h4,9-10H,1,5-8,11,13H2,2-3H3/b10-9+.
What are the key properties of (5E)-3-methylundeca-5,10-dien-3-amine?
(5E)-3-methylundeca-5,10-dien-3-amine has a molecular weight of 181.32 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methylundeca-5,10-dien-3-amine is sourced from PubChem (CID 20518063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).