N'-methyl-N'-(3-methylbut-2-en-2-yl)propane-1,3-diamine

C9H20N2 — CID 138727696

IUPACN'-methyl-N'-(3-methylbut-2-en-2-yl)propane-1,3-diamine
SMILESCC(C)=C(C)N(C)CCCN
InChIInChI=1S/C9H20N2/c1-8(2)9(3)11(4)7-5-6-10/h5-7,10H2,1-4H3
InChIKeyHLRDXYRMMZKYBO-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.58
Rot. Bonds4

About N'-methyl-N'-(3-methylbut-2-en-2-yl)propane-1,3-diamine

N'-methyl-N'-(3-methylbut-2-en-2-yl)propane-1,3-diamine (PubChem CID 138727696) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-methyl-N'-(3-methylbut-2-en-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-methylbut-2-en-2-yl)propane-1,3-diamine
PubChem CID138727696
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-methyl-N'-(3-methylbut-2-en-2-yl)propane-1,3-diamine
SMILESCC(C)=C(C)N(C)CCCN
InChIInChI=1S/C9H20N2/c1-8(2)9(3)11(4)7-5-6-10/h5-7,10H2,1-4H3
InChIKeyHLRDXYRMMZKYBO-UHFFFAOYSA-N
XLogP1.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-methyl-N'-(3-methylbut-2-en-2-yl)propane-1,3-diamine 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-(3-aminopropyl)-N-methylethanimidamide
CID 166905303
bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride
CID 173033128
1-(3-aminopropyl)-1,2-dimethylguanidine
CID 141013160
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine
CID 87642302
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
2-amino-1-(dimethylamino)ethanol;N',N'-dimethylpropane-1,3-diamine
CID 161126374
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
CID 145273852
1-(3-aminopropyl)-3-ethyl-1-methylurea
CID 43164859
(Z)-N-(3-aminopropyl)-N-methylbut-2-enamide
CID 143271127
N-(3-aminopropyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 81483380
[3-aminopropyl(methyl)amino]methylboronic acid
CID 158538018

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-methylbut-2-en-2-yl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(3-methylbut-2-en-2-yl)propane-1,3-diamine (CID 138727696) is N'-methyl-N'-(3-methylbut-2-en-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(3-methylbut-2-en-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(3-methylbut-2-en-2-yl)propane-1,3-diamine is CC(C)=C(C)N(C)CCCN.
What is the InChIKey of N'-methyl-N'-(3-methylbut-2-en-2-yl)propane-1,3-diamine?
The InChIKey is HLRDXYRMMZKYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(2)9(3)11(4)7-5-6-10/h5-7,10H2,1-4H3.
What are the key properties of N'-methyl-N'-(3-methylbut-2-en-2-yl)propane-1,3-diamine?
N'-methyl-N'-(3-methylbut-2-en-2-yl)propane-1,3-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-methylbut-2-en-2-yl)propane-1,3-diamine is sourced from PubChem (CID 138727696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).