N,N,4-trimethylpenta-1,2,3-trien-1-amine

C8H13N — CID 12779716

IUPACN,N,4-trimethylpenta-1,2,3-trien-1-amine
SMILESCC(C)=C=C=CN(C)C
InChIInChI=1S/C8H13N/c1-8(2)6-5-7-9(3)4/h7H,1-4H3
InChIKeyWDKRSOORZRKBLV-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.78
Rot. Bonds1

About N,N,4-trimethylpenta-1,2,3-trien-1-amine

N,N,4-trimethylpenta-1,2,3-trien-1-amine (PubChem CID 12779716) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N,N,4-trimethylpenta-1,2,3-trien-1-amine.

Molecular Properties

Compound NameN,N,4-trimethylpenta-1,2,3-trien-1-amine
PubChem CID12779716
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN,N,4-trimethylpenta-1,2,3-trien-1-amine
SMILESCC(C)=C=C=CN(C)C
InChIInChI=1S/C8H13N/c1-8(2)6-5-7-9(3)4/h7H,1-4H3
InChIKeyWDKRSOORZRKBLV-UHFFFAOYSA-N
XLogP1.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethylpenta-1,2,3-trien-1-amine?
The IUPAC name of N,N,4-trimethylpenta-1,2,3-trien-1-amine (CID 12779716) is N,N,4-trimethylpenta-1,2,3-trien-1-amine.
What is the SMILES notation for N,N,4-trimethylpenta-1,2,3-trien-1-amine?
The canonical SMILES for N,N,4-trimethylpenta-1,2,3-trien-1-amine is CC(C)=C=C=CN(C)C.
What is the InChIKey of N,N,4-trimethylpenta-1,2,3-trien-1-amine?
The InChIKey is WDKRSOORZRKBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-8(2)6-5-7-9(3)4/h7H,1-4H3.
What are the key properties of N,N,4-trimethylpenta-1,2,3-trien-1-amine?
N,N,4-trimethylpenta-1,2,3-trien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethylpenta-1,2,3-trien-1-amine is sourced from PubChem (CID 12779716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).