N,N,2,4-tetramethylpenta-1,3-dien-1-amine

C9H17N — CID 58175125

IUPACN,N,2,4-tetramethylpenta-1,3-dien-1-amine
SMILESCC(C)=CC(C)=CN(C)C
InChIInChI=1S/C9H17N/c1-8(2)6-9(3)7-10(4)5/h6-7H,1-5H3
InChIKeyLCMNTCHSBLLHDF-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.42
Rot. Bonds2

About N,N,2,4-tetramethylpenta-1,3-dien-1-amine

N,N,2,4-tetramethylpenta-1,3-dien-1-amine (PubChem CID 58175125) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,N,2,4-tetramethylpenta-1,3-dien-1-amine.

Molecular Properties

Compound NameN,N,2,4-tetramethylpenta-1,3-dien-1-amine
PubChem CID58175125
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,N,2,4-tetramethylpenta-1,3-dien-1-amine
SMILESCC(C)=CC(C)=CN(C)C
InChIInChI=1S/C9H17N/c1-8(2)6-9(3)7-10(4)5/h6-7H,1-5H3
InChIKeyLCMNTCHSBLLHDF-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
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 N,N,2,4-tetramethylpenta-1,3-dien-1-amine?
The IUPAC name of N,N,2,4-tetramethylpenta-1,3-dien-1-amine (CID 58175125) is N,N,2,4-tetramethylpenta-1,3-dien-1-amine.
What is the SMILES notation for N,N,2,4-tetramethylpenta-1,3-dien-1-amine?
The canonical SMILES for N,N,2,4-tetramethylpenta-1,3-dien-1-amine is CC(C)=CC(C)=CN(C)C.
What is the InChIKey of N,N,2,4-tetramethylpenta-1,3-dien-1-amine?
The InChIKey is LCMNTCHSBLLHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)6-9(3)7-10(4)5/h6-7H,1-5H3.
What are the key properties of N,N,2,4-tetramethylpenta-1,3-dien-1-amine?
N,N,2,4-tetramethylpenta-1,3-dien-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,4-tetramethylpenta-1,3-dien-1-amine is sourced from PubChem (CID 58175125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).