N,N-diethyl-2-methylprop-2-en-1-amine

C8H17N — CID 13112059

IUPACN,N-diethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)CC
InChIInChI=1S/C8H17N/c1-5-9(6-2)7-8(3)4/h3,5-7H2,1-2,4H3
InChIKeyQSZVXIAOKRJLJW-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.90
Rot. Bonds4

About N,N-diethyl-2-methylprop-2-en-1-amine

N,N-diethyl-2-methylprop-2-en-1-amine (PubChem CID 13112059) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N,N-diethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2-methylprop-2-en-1-amine
PubChem CID13112059
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN,N-diethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)CC
InChIInChI=1S/C8H17N/c1-5-9(6-2)7-8(3)4/h3,5-7H2,1-2,4H3
InChIKeyQSZVXIAOKRJLJW-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2-methylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,2-Trimethylpropenylamine
CID 22320
Tris(2-methylallyl)amine
CID 80605
(Bis(2-methyl-2-propenyl)amino)acetonitrile
CID 246343
Bis(2-methylprop-2-en-1-yl)cyanamide
CID 222021
2-Buten-1-amine, N,N-diethyl-3-methyl-
CID 547140
Allyldipropylamine
CID 527008
N,2-dimethyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine
CID 352960
(E)-N,N,N',N',2-pentamethylbut-2-ene-1,4-diamine
CID 12546533
N,N-diallylpropan-1-amine
CID 12665709
N,N-Diethyl-2-methylprop-1-en-1-amine
CID 12693439
2-methyl-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)propan-1-amine
CID 13416721
(E)-N,N-diethyl-2-methylbut-2-en-1-amine
CID 13570507

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methylprop-2-en-1-amine?
The IUPAC name of N,N-diethyl-2-methylprop-2-en-1-amine (CID 13112059) is N,N-diethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for N,N-diethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for N,N-diethyl-2-methylprop-2-en-1-amine is C=C(C)CN(CC)CC.
What is the InChIKey of N,N-diethyl-2-methylprop-2-en-1-amine?
The InChIKey is QSZVXIAOKRJLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-5-9(6-2)7-8(3)4/h3,5-7H2,1-2,4H3.
What are the key properties of N,N-diethyl-2-methylprop-2-en-1-amine?
N,N-diethyl-2-methylprop-2-en-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 13112059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).