3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine

C12H24N4 — CID 105043705

IUPAC3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cnnn1C
InChIInChI=1S/C12H24N4/c1-5-7-13-11(8-10(3)6-2)12-9-14-15-16(12)4/h9-11,13H,5-8H2,1-4H3
InChIKeyFJUUWFLKHALACS-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.29
Rot. Bonds7

About 3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine

3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine (PubChem CID 105043705) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine
PubChem CID105043705
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cnnn1C
InChIInChI=1S/C12H24N4/c1-5-7-13-11(8-10(3)6-2)12-9-14-15-16(12)4/h9-11,13H,5-8H2,1-4H3
InChIKeyFJUUWFLKHALACS-UHFFFAOYSA-N
XLogP2.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 114687206
1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine
CID 105043647
N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine
CID 114688885
N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine
CID 105043720
N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687476
N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687519
N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 105038662
1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylpentan-1-amine
CID 105046660
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 102803357
3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 105184733
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 115816153

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine?
The IUPAC name of 3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine (CID 105043705) is 3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine?
The canonical SMILES for 3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1cnnn1C.
What is the InChIKey of 3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine?
The InChIKey is FJUUWFLKHALACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-7-13-11(8-10(3)6-2)12-9-14-15-16(12)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine?
3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 105043705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).