(2Z)-N,4,6-trimethylocta-2,4-dien-3-amine

C11H21N — CID 166865760

IUPAC(2Z)-N,4,6-trimethylocta-2,4-dien-3-amine
SMILESC/C=C(\NC)C(C)=CC(C)CC
InChIInChI=1S/C11H21N/c1-6-9(3)8-10(4)11(7-2)12-5/h7-9,12H,6H2,1-5H3/b10-8?,11-7-
InChIKeyZWIOWPPLRVITMQ-UUGCJLSRSA-N
MW167.30 g/mol
LogP3.10
Rot. Bonds4

About (2Z)-N,4,6-trimethylocta-2,4-dien-3-amine

(2Z)-N,4,6-trimethylocta-2,4-dien-3-amine (PubChem CID 166865760) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (2Z)-N,4,6-trimethylocta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2Z)-N,4,6-trimethylocta-2,4-dien-3-amine
PubChem CID166865760
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(2Z)-N,4,6-trimethylocta-2,4-dien-3-amine
SMILESC/C=C(\NC)C(C)=CC(C)CC
InChIInChI=1S/C11H21N/c1-6-9(3)8-10(4)11(7-2)12-5/h7-9,12H,6H2,1-5H3/b10-8?,11-7-
InChIKeyZWIOWPPLRVITMQ-UUGCJLSRSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4R)-2,4-dimethylhex-2-ene
CID 142611901
(E)-4-methyl-N-propan-2-ylhex-2-en-2-amine
CID 166949903
(E,5S)-3,5-dimethylhept-3-ene
CID 25021557
ethyl (E)-2,4-dimethylhex-2-enoate
CID 12550546
N-[(E)-4-methylhex-2-en-2-yl]ethanimine
CID 90864591
(Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine
CID 166998767
(Z,5S)-4-ethyl-2-N-methylhex-2-ene-2,5-diamine
CID 174281685
pentan-2-yl (E)-2,4-dimethylhex-2-enoate
CID 91749763
2-methylprop-2-enoyl 2,4-dimethylhex-2-enoate
CID 174410729
(E)-2,4-dimethyl-N-propylhex-2-en-1-amine
CID 79340919
(2E,4Z)-2,4,6-trimethylocta-2,4-dien-1-ol
CID 101448778
ethyl (Z)-2-acetyl-4-methylhex-2-enoate
CID 25137440

Frequently Asked Questions

What is the IUPAC name of (2Z)-N,4,6-trimethylocta-2,4-dien-3-amine?
The IUPAC name of (2Z)-N,4,6-trimethylocta-2,4-dien-3-amine (CID 166865760) is (2Z)-N,4,6-trimethylocta-2,4-dien-3-amine.
What is the SMILES notation for (2Z)-N,4,6-trimethylocta-2,4-dien-3-amine?
The canonical SMILES for (2Z)-N,4,6-trimethylocta-2,4-dien-3-amine is C/C=C(\NC)C(C)=CC(C)CC.
What is the InChIKey of (2Z)-N,4,6-trimethylocta-2,4-dien-3-amine?
The InChIKey is ZWIOWPPLRVITMQ-UUGCJLSRSA-N. The full InChI is InChI=1S/C11H21N/c1-6-9(3)8-10(4)11(7-2)12-5/h7-9,12H,6H2,1-5H3/b10-8?,11-7-.
What are the key properties of (2Z)-N,4,6-trimethylocta-2,4-dien-3-amine?
(2Z)-N,4,6-trimethylocta-2,4-dien-3-amine has a molecular weight of 167.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,4,6-trimethylocta-2,4-dien-3-amine is sourced from PubChem (CID 166865760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).