2-methyl-N-[1-(1,2,4-triazol-4-yl)propan-2-yl]pentan-1-amine

C11H22N4 — CID 115908248

IUPAC2-methyl-N-[1-(1,2,4-triazol-4-yl)propan-2-yl]pentan-1-amine
SMILESCCCC(C)CNC(C)Cn1cnnc1
InChIInChI=1S/C11H22N4/c1-4-5-10(2)6-12-11(3)7-15-8-13-14-9-15/h8-12H,4-7H2,1-3H3
InChIKeyUABMQBNPEUNUDL-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.69
Rot. Bonds7

About 2-methyl-N-[1-(1,2,4-triazol-4-yl)propan-2-yl]pentan-1-amine

2-methyl-N-[1-(1,2,4-triazol-4-yl)propan-2-yl]pentan-1-amine (PubChem CID 115908248) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methyl-N-[1-(1,2,4-triazol-4-yl)propan-2-yl]pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(1,2,4-triazol-4-yl)propan-2-yl]pentan-1-amine
PubChem CID115908248
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-methyl-N-[1-(1,2,4-triazol-4-yl)propan-2-yl]pentan-1-amine
SMILESCCCC(C)CNC(C)Cn1cnnc1
InChIInChI=1S/C11H22N4/c1-4-5-10(2)6-12-11(3)7-15-8-13-14-9-15/h8-12H,4-7H2,1-3H3
InChIKeyUABMQBNPEUNUDL-UHFFFAOYSA-N
XLogP1.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,2,4-triazol-4-yl)propan-2-yl]heptan-4-amine
CID 115728935
N-(1-chloropropan-2-yl)-2-methylpentan-1-amine
CID 65025793
(2S)-2-methyl-N-propan-2-ylpentan-1-amine
CID 28610224
2-methyl-3-(pentan-2-ylamino)propan-1-ol
CID 65031909
1-N,1-N-diethyl-4-N-(2-methylpentyl)pentane-1,4-diamine
CID 43201103
2-methyl-N-pentan-3-ylpentan-1-amine
CID 43204323
1-(2-methylpentylamino)ethanol
CID 88836184
N-[4-(furan-2-yl)butan-2-yl]-2-methylpentan-1-amine
CID 43205393
2-(2-methylpentylamino)propane-1,3-diol
CID 65315712
4-[3-(2-methylpentylamino)butyl]phenol
CID 43746652
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pentan-2-amine
CID 62578294
1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine
CID 115908857

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1,2,4-triazol-4-yl)propan-2-yl]pentan-1-amine?
The IUPAC name of 2-methyl-N-[1-(1,2,4-triazol-4-yl)propan-2-yl]pentan-1-amine (CID 115908248) is 2-methyl-N-[1-(1,2,4-triazol-4-yl)propan-2-yl]pentan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(1,2,4-triazol-4-yl)propan-2-yl]pentan-1-amine?
The canonical SMILES for 2-methyl-N-[1-(1,2,4-triazol-4-yl)propan-2-yl]pentan-1-amine is CCCC(C)CNC(C)Cn1cnnc1.
What is the InChIKey of 2-methyl-N-[1-(1,2,4-triazol-4-yl)propan-2-yl]pentan-1-amine?
The InChIKey is UABMQBNPEUNUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-5-10(2)6-12-11(3)7-15-8-13-14-9-15/h8-12H,4-7H2,1-3H3.
What are the key properties of 2-methyl-N-[1-(1,2,4-triazol-4-yl)propan-2-yl]pentan-1-amine?
2-methyl-N-[1-(1,2,4-triazol-4-yl)propan-2-yl]pentan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1,2,4-triazol-4-yl)propan-2-yl]pentan-1-amine is sourced from PubChem (CID 115908248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).