N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine

C13H26N4 — CID 105003061

IUPACN,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
SMILESCCCn1ncnc1CC(NC)C(C)C(C)C
InChIInChI=1S/C13H26N4/c1-6-7-17-13(15-9-16-17)8-12(14-5)11(4)10(2)3/h9-12,14H,6-8H2,1-5H3
InChIKeyKMYJHDRLXINXRM-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.11
Rot. Bonds7

About N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine

N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine (PubChem CID 105003061) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine.

Molecular Properties

Compound NameN,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
PubChem CID105003061
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
SMILESCCCn1ncnc1CC(NC)C(C)C(C)C
InChIInChI=1S/C13H26N4/c1-6-7-17-13(15-9-16-17)8-12(14-5)11(4)10(2)3/h9-12,14H,6-8H2,1-5H3
InChIKeyKMYJHDRLXINXRM-UHFFFAOYSA-N
XLogP2.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003193
3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 115816529
1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 116723474
2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine
CID 81017156
3-methoxy-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79616250
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine
CID 104999897
1-cyclooctyl-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 80604052
3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 83138306
N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine
CID 79411663
5-[2-(chloromethyl)butyl]-1-propyl-1,2,4-triazole
CID 66034116
1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002993
N-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215703

Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine?
The IUPAC name of N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine (CID 105003061) is N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine.
What is the SMILES notation for N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine?
The canonical SMILES for N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine is CCCn1ncnc1CC(NC)C(C)C(C)C.
What is the InChIKey of N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine?
The InChIKey is KMYJHDRLXINXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-6-7-17-13(15-9-16-17)8-12(14-5)11(4)10(2)3/h9-12,14H,6-8H2,1-5H3.
What are the key properties of N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine?
N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine has a molecular weight of 238.38 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine is sourced from PubChem (CID 105003061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).