N,3,3-trimethyl-N-(2-methylprop-1-enyl)but-1-en-2-amine

C11H21N — CID 139543577

IUPACN,3,3-trimethyl-N-(2-methylprop-1-enyl)but-1-en-2-amine
SMILESC=C(N(C)C=C(C)C)C(C)(C)C
InChIInChI=1S/C11H21N/c1-9(2)8-12(7)10(3)11(4,5)6/h8H,3H2,1-2,4-7H3
InChIKeyJOVKWARZABQVTL-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.40
Rot. Bonds2

About N,3,3-trimethyl-N-(2-methylprop-1-enyl)but-1-en-2-amine

N,3,3-trimethyl-N-(2-methylprop-1-enyl)but-1-en-2-amine (PubChem CID 139543577) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N,3,3-trimethyl-N-(2-methylprop-1-enyl)but-1-en-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-N-(2-methylprop-1-enyl)but-1-en-2-amine
PubChem CID139543577
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN,3,3-trimethyl-N-(2-methylprop-1-enyl)but-1-en-2-amine
SMILESC=C(N(C)C=C(C)C)C(C)(C)C
InChIInChI=1S/C11H21N/c1-9(2)8-12(7)10(3)11(4,5)6/h8H,3H2,1-2,4-7H3
InChIKeyJOVKWARZABQVTL-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,3,3-trimethyl-N-(2-methylprop-1-enyl)but-1-en-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-(2-methylprop-1-enyl)but-1-en-2-amine?
The IUPAC name of N,3,3-trimethyl-N-(2-methylprop-1-enyl)but-1-en-2-amine (CID 139543577) is N,3,3-trimethyl-N-(2-methylprop-1-enyl)but-1-en-2-amine.
What is the SMILES notation for N,3,3-trimethyl-N-(2-methylprop-1-enyl)but-1-en-2-amine?
The canonical SMILES for N,3,3-trimethyl-N-(2-methylprop-1-enyl)but-1-en-2-amine is C=C(N(C)C=C(C)C)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-N-(2-methylprop-1-enyl)but-1-en-2-amine?
The InChIKey is JOVKWARZABQVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)8-12(7)10(3)11(4,5)6/h8H,3H2,1-2,4-7H3.
What are the key properties of N,3,3-trimethyl-N-(2-methylprop-1-enyl)but-1-en-2-amine?
N,3,3-trimethyl-N-(2-methylprop-1-enyl)but-1-en-2-amine has a molecular weight of 167.30 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-(2-methylprop-1-enyl)but-1-en-2-amine is sourced from PubChem (CID 139543577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).