2-tert-butyl-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine

C13H26N4 — CID 58808331

IUPAC2-tert-butyl-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine
SMILESCC(C)CC(CNCc1ncn[nH]1)C(C)(C)C
InChIInChI=1S/C13H26N4/c1-10(2)6-11(13(3,4)5)7-14-8-12-15-9-16-17-12/h9-11,14H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyNITIFJRYUYMRSN-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.60
Rot. Bonds6

About 2-tert-butyl-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine

2-tert-butyl-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine (PubChem CID 58808331) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine
PubChem CID58808331
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-tert-butyl-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine
SMILESCC(C)CC(CNCc1ncn[nH]1)C(C)(C)C
InChIInChI=1S/C13H26N4/c1-10(2)6-11(13(3,4)5)7-14-8-12-15-9-16-17-12/h9-11,14H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyNITIFJRYUYMRSN-UHFFFAOYSA-N
XLogP2.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine
CID 60978609
2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-1-amine
CID 60978760
3,4,4-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
CID 63822003
(2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
CID 104903173
N-(1H-1,2,4-triazol-5-ylmethyl)butan-1-amine
CID 60978735
[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine
CID 105230310
(2R)-3,3-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylcarbamoylamino)butanoic acid
CID 113353242
1-(5-methyl-1H-imidazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 62743221
2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982177
4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline
CID 61360412
3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butan-2-amine
CID 64547951
1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60979310

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine?
The IUPAC name of 2-tert-butyl-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine (CID 58808331) is 2-tert-butyl-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine.
What is the SMILES notation for 2-tert-butyl-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine?
The canonical SMILES for 2-tert-butyl-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine is CC(C)CC(CNCc1ncn[nH]1)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine?
The InChIKey is NITIFJRYUYMRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-10(2)6-11(13(3,4)5)7-14-8-12-15-9-16-17-12/h9-11,14H,6-8H2,1-5H3,(H,15,16,17).
What are the key properties of 2-tert-butyl-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine?
2-tert-butyl-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine has a molecular weight of 238.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentan-1-amine is sourced from PubChem (CID 58808331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).