2-ethyl-N-(1,2,4-triazol-1-ylmethyl)hexan-1-amine

C11H22N4 — CID 66893449

IUPAC2-ethyl-N-(1,2,4-triazol-1-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)CNCn1cncn1
InChIInChI=1S/C11H22N4/c1-3-5-6-11(4-2)7-12-9-15-10-13-8-14-15/h8,10-12H,3-7,9H2,1-2H3
InChIKeyHZBMGAOTCBIMPC-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.04
Rot. Bonds8

About 2-ethyl-N-(1,2,4-triazol-1-ylmethyl)hexan-1-amine

2-ethyl-N-(1,2,4-triazol-1-ylmethyl)hexan-1-amine (PubChem CID 66893449) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-ethyl-N-(1,2,4-triazol-1-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(1,2,4-triazol-1-ylmethyl)hexan-1-amine
PubChem CID66893449
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-ethyl-N-(1,2,4-triazol-1-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)CNCn1cncn1
InChIInChI=1S/C11H22N4/c1-3-5-6-11(4-2)7-12-9-15-10-13-8-14-15/h8,10-12H,3-7,9H2,1-2H3
InChIKeyHZBMGAOTCBIMPC-UHFFFAOYSA-N
XLogP2.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Bis(2-ethylhexyl)-1,2,4-triazol-1-ylmethanamine
CID 163595
1-(2-Piperidin-4-ylethyl)-1,2,4-triazol-3-amine
CID 177800989
5,9-Diethyl-7-(1,2,4-triazol-1-yl)tridecan-7-amine
CID 17973463
2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole
CID 19771426
N,N'-bis(2-ethylhexyl)-1-(1,2,4-triazol-1-yl)methanediamine
CID 21282358
1-(4-Methylhexyl)-1,2,4-triazole
CID 57667505
N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine
CID 58883290
N-(cyclohexylmethyl)-2-ethyl-1,2,4-triazol-3-amine
CID 58883367
5-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine
CID 58976514
3-N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazole-3,5-diamine
CID 58976963
1-[(2S,3S)-2-ethyl-3-propan-2-ylhexyl]-1,2,4-triazole
CID 59088716
N-(cyclopentylmethyl)-1-ethyl-1,2,4-triazol-3-amine
CID 60053084

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1,2,4-triazol-1-ylmethyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-(1,2,4-triazol-1-ylmethyl)hexan-1-amine (CID 66893449) is 2-ethyl-N-(1,2,4-triazol-1-ylmethyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(1,2,4-triazol-1-ylmethyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-(1,2,4-triazol-1-ylmethyl)hexan-1-amine is CCCCC(CC)CNCn1cncn1.
What is the InChIKey of 2-ethyl-N-(1,2,4-triazol-1-ylmethyl)hexan-1-amine?
The InChIKey is HZBMGAOTCBIMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-3-5-6-11(4-2)7-12-9-15-10-13-8-14-15/h8,10-12H,3-7,9H2,1-2H3.
What are the key properties of 2-ethyl-N-(1,2,4-triazol-1-ylmethyl)hexan-1-amine?
2-ethyl-N-(1,2,4-triazol-1-ylmethyl)hexan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1,2,4-triazol-1-ylmethyl)hexan-1-amine is sourced from PubChem (CID 66893449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).