(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine

C8H15N — CID 118687373

IUPAC(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine
SMILESCN/C=C(/C)C=C(C)C
InChIInChI=1S/C8H15N/c1-7(2)5-8(3)6-9-4/h5-6,9H,1-4H3/b8-6-
InChIKeyDIKSDDWNKAPZID-VURMDHGXSA-N
MW125.21 g/mol
LogP2.08
Rot. Bonds2

About (1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine

(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine (PubChem CID 118687373) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine
PubChem CID118687373
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine
SMILESCN/C=C(/C)C=C(C)C
InChIInChI=1S/C8H15N/c1-7(2)5-8(3)6-9-4/h5-6,9H,1-4H3/b8-6-
InChIKeyDIKSDDWNKAPZID-VURMDHGXSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.08
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 (1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine (CID 118687373) is (1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine is CN/C=C(/C)C=C(C)C.
What is the InChIKey of (1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine?
The InChIKey is DIKSDDWNKAPZID-VURMDHGXSA-N. The full InChI is InChI=1S/C8H15N/c1-7(2)5-8(3)6-9-4/h5-6,9H,1-4H3/b8-6-.
What are the key properties of (1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine?
(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine has a molecular weight of 125.21 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine is sourced from PubChem (CID 118687373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).