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

C7H13N — CID 14907803

IUPACN,N-dimethyl-2-methylidenebut-3-en-1-amine
SMILESC=CC(=C)CN(C)C
InChIInChI=1S/C7H13N/c1-5-7(2)6-8(3)4/h5H,1-2,6H2,3-4H3
InChIKeyFOLGYNXRZXYUDT-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.29
Rot. Bonds3

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

N,N-dimethyl-2-methylidenebut-3-en-1-amine (PubChem CID 14907803) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N,N-dimethyl-2-methylidenebut-3-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-methylidenebut-3-en-1-amine
PubChem CID14907803
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN,N-dimethyl-2-methylidenebut-3-en-1-amine
SMILESC=CC(=C)CN(C)C
InChIInChI=1S/C7H13N/c1-5-7(2)6-8(3)4/h5H,1-2,6H2,3-4H3
InChIKeyFOLGYNXRZXYUDT-UHFFFAOYSA-N
XLogP1.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-methylidenebut-3-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-dimethyl(3-butenyl)amine
CID 546902
N,N-Diethyl-2-methylidenebut-3-en-1-amine
CID 14644961
2-Methylidene-N,N-dipropylbut-3-en-1-amine
CID 18512648
2-Methylene-3-butenyltrimethylammonium chloride
CID 129671470
(1E)-N,N,2-trimethylbuta-1,3-dien-1-amine
CID 5324292
N-allyl bis-(2,3-dimethylenebutyl) amine
CID 129879008
N,N,2-trimethylbuta-1,3-dien-1-amine
CID 638323
(2Z)-N,N,3-trimethylpenta-2,4-dien-1-amine
CID 12628258
(1Z)-N,N,2-trimethylbuta-1,3-dien-1-amine
CID 13723822
2-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine
CID 14644963
1-methyl-3-methylidene-2H-pyrrole
CID 20622177
N,N-dimethyl-2-methylidenebutan-1-amine
CID 20776274

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-methylidenebut-3-en-1-amine?
The IUPAC name of N,N-dimethyl-2-methylidenebut-3-en-1-amine (CID 14907803) is N,N-dimethyl-2-methylidenebut-3-en-1-amine.
What is the SMILES notation for N,N-dimethyl-2-methylidenebut-3-en-1-amine?
The canonical SMILES for N,N-dimethyl-2-methylidenebut-3-en-1-amine is C=CC(=C)CN(C)C.
What is the InChIKey of N,N-dimethyl-2-methylidenebut-3-en-1-amine?
The InChIKey is FOLGYNXRZXYUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-7(2)6-8(3)4/h5H,1-2,6H2,3-4H3.
What are the key properties of N,N-dimethyl-2-methylidenebut-3-en-1-amine?
N,N-dimethyl-2-methylidenebut-3-en-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylidenebut-3-en-1-amine is sourced from PubChem (CID 14907803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).