N-ethyl-2-methyl-3-(3-propyltriazol-4-yl)butan-1-amine

C12H24N4 — CID 114691464

IUPACN-ethyl-2-methyl-3-(3-propyltriazol-4-yl)butan-1-amine
SMILESCCCn1nncc1C(C)C(C)CNCC
InChIInChI=1S/C12H24N4/c1-5-7-16-12(9-14-15-16)11(4)10(3)8-13-6-2/h9-11,13H,5-8H2,1-4H3
InChIKeyPXSLJSSFAOITSV-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.04
Rot. Bonds7

About N-ethyl-2-methyl-3-(3-propyltriazol-4-yl)butan-1-amine

N-ethyl-2-methyl-3-(3-propyltriazol-4-yl)butan-1-amine (PubChem CID 114691464) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-(3-propyltriazol-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-(3-propyltriazol-4-yl)butan-1-amine
PubChem CID114691464
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-ethyl-2-methyl-3-(3-propyltriazol-4-yl)butan-1-amine
SMILESCCCn1nncc1C(C)C(C)CNCC
InChIInChI=1S/C12H24N4/c1-5-7-16-12(9-14-15-16)11(4)10(3)8-13-6-2/h9-11,13H,5-8H2,1-4H3
InChIKeyPXSLJSSFAOITSV-UHFFFAOYSA-N
XLogP2.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol
CID 114684988
4-(3-propyltriazol-4-yl)pentan-2-ol
CID 114690551
5-(4-chloropentan-2-yl)-1-propyltriazole
CID 114690638
2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687773
N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 105038662
N-ethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 114688493
2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038639
[2-cyclopropyl-1-(3-propyltriazol-4-yl)propyl]hydrazine
CID 105335544
N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923832
N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687560

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-(3-propyltriazol-4-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-(3-propyltriazol-4-yl)butan-1-amine (CID 114691464) is N-ethyl-2-methyl-3-(3-propyltriazol-4-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-(3-propyltriazol-4-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-(3-propyltriazol-4-yl)butan-1-amine is CCCn1nncc1C(C)C(C)CNCC.
What is the InChIKey of N-ethyl-2-methyl-3-(3-propyltriazol-4-yl)butan-1-amine?
The InChIKey is PXSLJSSFAOITSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-7-16-12(9-14-15-16)11(4)10(3)8-13-6-2/h9-11,13H,5-8H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-3-(3-propyltriazol-4-yl)butan-1-amine?
N-ethyl-2-methyl-3-(3-propyltriazol-4-yl)butan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-(3-propyltriazol-4-yl)butan-1-amine is sourced from PubChem (CID 114691464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).