2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine

C10H20N4 — CID 114687773

IUPAC2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCn1nncc1CNCC(C)C
InChIInChI=1S/C10H20N4/c1-4-5-14-10(8-12-13-14)7-11-6-9(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyZQJLTXKIQWFOKM-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.43
Rot. Bonds6

About 2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine

2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 114687773) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine
PubChem CID114687773
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCn1nncc1CNCC(C)C
InChIInChI=1S/C10H20N4/c1-4-5-14-10(8-12-13-14)7-11-6-9(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyZQJLTXKIQWFOKM-UHFFFAOYSA-N
XLogP1.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine
CID 114690351
N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66439923
4-(3-propyltriazol-4-yl)butan-2-amine
CID 114690307
N-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine
CID 114690382
2-methyl-N-[[3-(2,4,5-trifluorophenyl)triazol-4-yl]methyl]propan-1-amine
CID 107451591
N-[[3-(2,6-dichlorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107451689
N-propan-2-yl-3-propyltriazol-4-amine
CID 130486605
N-ethyl-2-methyl-3-(3-propyltriazol-4-yl)butan-1-amine
CID 114691464
1-(3-propyltriazol-4-yl)pentan-3-amine
CID 114690321
2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine
CID 115682285
N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine
CID 114690126
3-(3-propyltriazol-4-yl)propan-1-ol
CID 114690518

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine (CID 114687773) is 2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine is CCCn1nncc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is ZQJLTXKIQWFOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-5-14-10(8-12-13-14)7-11-6-9(2)3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine?
2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114687773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).