N,N,2-trimethylbuta-1,3-dien-1-amine

C7H13N — CID 638323

IUPACN,N,2-trimethylbuta-1,3-dien-1-amine
SMILESC=CC(C)=CN(C)C
InChIInChI=1S/C7H13N/c1-5-7(2)6-8(3)4/h5-6H,1H2,2-4H3
InChIKeyLWYIQUBQKVMOHO-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.64
Rot. Bonds2

About N,N,2-trimethylbuta-1,3-dien-1-amine

N,N,2-trimethylbuta-1,3-dien-1-amine (PubChem CID 638323) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N,N,2-trimethylbuta-1,3-dien-1-amine.

Molecular Properties

Compound NameN,N,2-trimethylbuta-1,3-dien-1-amine
PubChem CID638323
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN,N,2-trimethylbuta-1,3-dien-1-amine
SMILESC=CC(C)=CN(C)C
InChIInChI=1S/C7H13N/c1-5-7(2)6-8(3)4/h5-6H,1H2,2-4H3
InChIKeyLWYIQUBQKVMOHO-UHFFFAOYSA-N
XLogP1.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.64
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-trimethylbuta-1,3-dien-1-amine?
The IUPAC name of N,N,2-trimethylbuta-1,3-dien-1-amine (CID 638323) is N,N,2-trimethylbuta-1,3-dien-1-amine.
What is the SMILES notation for N,N,2-trimethylbuta-1,3-dien-1-amine?
The canonical SMILES for N,N,2-trimethylbuta-1,3-dien-1-amine is C=CC(C)=CN(C)C.
What is the InChIKey of N,N,2-trimethylbuta-1,3-dien-1-amine?
The InChIKey is LWYIQUBQKVMOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-7(2)6-8(3)4/h5-6H,1H2,2-4H3.
What are the key properties of N,N,2-trimethylbuta-1,3-dien-1-amine?
N,N,2-trimethylbuta-1,3-dien-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethylbuta-1,3-dien-1-amine is sourced from PubChem (CID 638323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).