N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine

C11H23N5 — CID 114688885

IUPACN',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)C)c1cnnn1C
InChIInChI=1S/C11H23N5/c1-5-7-12-10(6-8-15(2)3)11-9-13-14-16(11)4/h9-10,12H,5-8H2,1-4H3
InChIKeyHVLVPPRCXOTONS-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.81
Rot. Bonds7

About N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine

N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine (PubChem CID 114688885) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine
PubChem CID114688885
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC NameN',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)C)c1cnnn1C
InChIInChI=1S/C11H23N5/c1-5-7-12-10(6-8-15(2)3)11-9-13-14-16(11)4/h9-10,12H,5-8H2,1-4H3
InChIKeyHVLVPPRCXOTONS-UHFFFAOYSA-N
XLogP0.81
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-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

1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 114687206
1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine
CID 105043647
3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine
CID 105043705
3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 105184733
N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687519
N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687476
N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687199
N',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 115346850
1-(3-methyltriazol-4-yl)hexylhydrazine
CID 105337497
N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
1-(3-methyltriazol-4-yl)dodecylhydrazine
CID 105337498
2-methyl-2-methylsulfonyl-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 105043401

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine (CID 114688885) is N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine is CCCNC(CCN(C)C)c1cnnn1C.
What is the InChIKey of N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine?
The InChIKey is HVLVPPRCXOTONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-5-7-12-10(6-8-15(2)3)11-9-13-14-16(11)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine?
N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine has a molecular weight of 225.34 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine is sourced from PubChem (CID 114688885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).