N-methyl-1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine

C12H24N4 — CID 105043420

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

About N-methyl-1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine

N-methyl-1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine (PubChem CID 105043420) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-methyl-1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine
PubChem CID105043420
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-methyl-1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NC)c1cnnn1C
InChIInChI=1S/C12H24N4/c1-5-7-10(8-6-2)12(13-3)11-9-14-15-16(11)4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyNGQUUODFPWMDQJ-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)-2-propylpentan-1-amine
CID 105043778
1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 114687206
N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687181
N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114687748
(1S)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride
CID 167732679
N-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine
CID 114690459
N-methyl-2-propyl-1-(1-propylpyrazol-4-yl)pentan-1-amine
CID 115807187
1-(3-methyltriazol-4-yl)hexylhydrazine
CID 105337497
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105040502
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105042462
1-(3-methyltriazol-4-yl)dodecylhydrazine
CID 105337498
1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine
CID 105043647

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine?
The IUPAC name of N-methyl-1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine (CID 105043420) is N-methyl-1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine.
What is the SMILES notation for N-methyl-1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine?
The canonical SMILES for N-methyl-1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine is CCCC(CCC)C(NC)c1cnnn1C.
What is the InChIKey of N-methyl-1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine?
The InChIKey is NGQUUODFPWMDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-7-10(8-6-2)12(13-3)11-9-14-15-16(11)4/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of N-methyl-1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine?
N-methyl-1-(3-methyltriazol-4-yl)-2-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 N-methyl-1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine is sourced from PubChem (CID 105043420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).