N,2,4-trimethylpent-1-en-3-amine

C8H17N — CID 20706268

IUPACN,2,4-trimethylpent-1-en-3-amine
SMILESC=C(C)C(NC)C(C)C
InChIInChI=1S/C8H17N/c1-6(2)8(9-5)7(3)4/h7-9H,1H2,2-5H3
InChIKeyGYOSEJRLGQAAJX-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.81
Rot. Bonds3

About N,2,4-trimethylpent-1-en-3-amine

N,2,4-trimethylpent-1-en-3-amine (PubChem CID 20706268) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N,2,4-trimethylpent-1-en-3-amine.

Molecular Properties

Compound NameN,2,4-trimethylpent-1-en-3-amine
PubChem CID20706268
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN,2,4-trimethylpent-1-en-3-amine
SMILESC=C(C)C(NC)C(C)C
InChIInChI=1S/C8H17N/c1-6(2)8(9-5)7(3)4/h7-9H,1H2,2-5H3
InChIKeyGYOSEJRLGQAAJX-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethylpent-1-en-3-amine?
The IUPAC name of N,2,4-trimethylpent-1-en-3-amine (CID 20706268) is N,2,4-trimethylpent-1-en-3-amine.
What is the SMILES notation for N,2,4-trimethylpent-1-en-3-amine?
The canonical SMILES for N,2,4-trimethylpent-1-en-3-amine is C=C(C)C(NC)C(C)C.
What is the InChIKey of N,2,4-trimethylpent-1-en-3-amine?
The InChIKey is GYOSEJRLGQAAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-6(2)8(9-5)7(3)4/h7-9H,1H2,2-5H3.
What are the key properties of N,2,4-trimethylpent-1-en-3-amine?
N,2,4-trimethylpent-1-en-3-amine has a molecular weight of 127.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethylpent-1-en-3-amine is sourced from PubChem (CID 20706268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).