N,N-diethyl-2-methylidenebut-3-en-1-amine

C9H17N — CID 14644961

IUPACN,N-diethyl-2-methylidenebut-3-en-1-amine
SMILESC=CC(=C)CN(CC)CC
InChIInChI=1S/C9H17N/c1-5-9(4)8-10(6-2)7-3/h5H,1,4,6-8H2,2-3H3
InChIKeyZCYKDACWFZTULP-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.07
Rot. Bonds5

About N,N-diethyl-2-methylidenebut-3-en-1-amine

N,N-diethyl-2-methylidenebut-3-en-1-amine (PubChem CID 14644961) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,N-diethyl-2-methylidenebut-3-en-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2-methylidenebut-3-en-1-amine
PubChem CID14644961
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,N-diethyl-2-methylidenebut-3-en-1-amine
SMILESC=CC(=C)CN(CC)CC
InChIInChI=1S/C9H17N/c1-5-9(4)8-10(6-2)7-3/h5H,1,4,6-8H2,2-3H3
InChIKeyZCYKDACWFZTULP-UHFFFAOYSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.07
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-diethyl-2-methylidenebut-3-en-1-amine?
The IUPAC name of N,N-diethyl-2-methylidenebut-3-en-1-amine (CID 14644961) is N,N-diethyl-2-methylidenebut-3-en-1-amine.
What is the SMILES notation for N,N-diethyl-2-methylidenebut-3-en-1-amine?
The canonical SMILES for N,N-diethyl-2-methylidenebut-3-en-1-amine is C=CC(=C)CN(CC)CC.
What is the InChIKey of N,N-diethyl-2-methylidenebut-3-en-1-amine?
The InChIKey is ZCYKDACWFZTULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-5-9(4)8-10(6-2)7-3/h5H,1,4,6-8H2,2-3H3.
What are the key properties of N,N-diethyl-2-methylidenebut-3-en-1-amine?
N,N-diethyl-2-methylidenebut-3-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methylidenebut-3-en-1-amine is sourced from PubChem (CID 14644961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).