N-but-1-en-2-yl-N-methylbutan-1-amine

C9H19N — CID 123604210

IUPACN-but-1-en-2-yl-N-methylbutan-1-amine
SMILESC=C(CC)N(C)CCCC
InChIInChI=1S/C9H19N/c1-5-7-8-10(4)9(3)6-2/h3,5-8H2,1-2,4H3
InChIKeyGYQDSGIWQHKPQN-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.64
Rot. Bonds5

About N-but-1-en-2-yl-N-methylbutan-1-amine

N-but-1-en-2-yl-N-methylbutan-1-amine (PubChem CID 123604210) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-but-1-en-2-yl-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-but-1-en-2-yl-N-methylbutan-1-amine
PubChem CID123604210
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-but-1-en-2-yl-N-methylbutan-1-amine
SMILESC=C(CC)N(C)CCCC
InChIInChI=1S/C9H19N/c1-5-7-8-10(4)9(3)6-2/h3,5-8H2,1-2,4H3
InChIKeyGYQDSGIWQHKPQN-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-but-1-en-2-yl-N-methylbutan-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

1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine
CID 90395287
N-butyl-N-methylcarbamate
CID 23071400
N-butyl-N-methylacetamide;ethane
CID 142088805
N,N-dimethylbut-1-en-2-amine;ethane
CID 177158434
2-[butyl(methyl)amino]-2-oxoacetic acid
CID 28710534
N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82813770
N-butyl-N,2-dimethylpropanamide
CID 21413636
N-butyl-N-methyl-2-oxopropanamide;ethane
CID 142836775
N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine
CID 167586856
CID 67343304
CID 67343304
N-butyl-N-methyl-3-oxobutanamide
CID 60934379

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-N-methylbutan-1-amine?
The IUPAC name of N-but-1-en-2-yl-N-methylbutan-1-amine (CID 123604210) is N-but-1-en-2-yl-N-methylbutan-1-amine.
What is the SMILES notation for N-but-1-en-2-yl-N-methylbutan-1-amine?
The canonical SMILES for N-but-1-en-2-yl-N-methylbutan-1-amine is C=C(CC)N(C)CCCC.
What is the InChIKey of N-but-1-en-2-yl-N-methylbutan-1-amine?
The InChIKey is GYQDSGIWQHKPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-5-7-8-10(4)9(3)6-2/h3,5-8H2,1-2,4H3.
What are the key properties of N-but-1-en-2-yl-N-methylbutan-1-amine?
N-but-1-en-2-yl-N-methylbutan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-N-methylbutan-1-amine is sourced from PubChem (CID 123604210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).