5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine

C13H26N4 — CID 107048801

IUPAC5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)C)Cc1cn(C)nn1
InChIInChI=1S/C13H26N4/c1-5-8-14-12(7-6-11(2)3)9-13-10-17(4)16-15-13/h10-12,14H,5-9H2,1-4H3
InChIKeyFGFPGSVYGZUNFD-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.16
Rot. Bonds8

About 5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine

5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine (PubChem CID 107048801) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine.

Molecular Properties

Compound Name5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine
PubChem CID107048801
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)C)Cc1cn(C)nn1
InChIInChI=1S/C13H26N4/c1-5-8-14-12(7-6-11(2)3)9-13-10-17(4)16-15-13/h10-12,14H,5-9H2,1-4H3
InChIKeyFGFPGSVYGZUNFD-UHFFFAOYSA-N
XLogP2.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107051391
4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107064323
1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107048898
1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107064405
1-(2-chlorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049700
2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine
CID 107052901
1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049649
5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine
CID 107064246
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064360
3-N,3-N,3-trimethyl-1-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine
CID 107049844
N-[2-(1-methyltriazol-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 107049488
1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045999

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine?
The IUPAC name of 5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine (CID 107048801) is 5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine.
What is the SMILES notation for 5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine?
The canonical SMILES for 5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine is CCCNC(CCC(C)C)Cc1cn(C)nn1.
What is the InChIKey of 5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine?
The InChIKey is FGFPGSVYGZUNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-5-8-14-12(7-6-11(2)3)9-13-10-17(4)16-15-13/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine?
5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine has a molecular weight of 238.38 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine is sourced from PubChem (CID 107048801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).