N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine

C9H19N5 — CID 114688446

IUPACN',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine
SMILESCCCn1nncc1C(N)CN(C)C
InChIInChI=1S/C9H19N5/c1-4-5-14-9(6-11-12-14)8(10)7-13(2)3/h6,8H,4-5,7,10H2,1-3H3
InChIKeyGIGIFGCJBCLVMF-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.25
Rot. Bonds5

About N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine

N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine (PubChem CID 114688446) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine
PubChem CID114688446
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC NameN',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine
SMILESCCCn1nncc1C(N)CN(C)C
InChIInChI=1S/C9H19N5/c1-4-5-14-9(6-11-12-14)8(10)7-13(2)3/h6,8H,4-5,7,10H2,1-3H3
InChIKeyGIGIFGCJBCLVMF-UHFFFAOYSA-N
XLogP0.25
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
(1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine
CID 165459865
3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182293
2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687956
(1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
CID 102804469
2-(cyclohexen-1-yl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114689134
(3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
CID 102812830
(5-methylpyrimidin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688940
2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 105038776
2-(2-chlorophenyl)sulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114688224
diethyl 2-(3-propyltriazol-4-yl)propanedioate
CID 114690044
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine (CID 114688446) is N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine is CCCn1nncc1C(N)CN(C)C.
What is the InChIKey of N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine?
The InChIKey is GIGIFGCJBCLVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-4-5-14-9(6-11-12-14)8(10)7-13(2)3/h6,8H,4-5,7,10H2,1-3H3.
What are the key properties of N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine?
N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine has a molecular weight of 197.29 g/mol, XLogP of 0.25, 5 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-propyltriazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 114688446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).