2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine

C13H24N4 — CID 105038639

IUPAC2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
SMILESCCCn1nncc1C(NCC)C(C)C1CC1
InChIInChI=1S/C13H24N4/c1-4-8-17-12(9-15-16-17)13(14-5-2)10(3)11-6-7-11/h9-11,13-14H,4-8H2,1-3H3
InChIKeyCLJCGRZYKDLLPI-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.38
Rot. Bonds7

About 2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine

2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine (PubChem CID 105038639) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
PubChem CID105038639
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
SMILESCCCn1nncc1C(NCC)C(C)C1CC1
InChIInChI=1S/C13H24N4/c1-4-8-17-12(9-15-16-17)13(14-5-2)10(3)11-6-7-11/h9-11,13-14H,4-8H2,1-3H3
InChIKeyCLJCGRZYKDLLPI-UHFFFAOYSA-N
XLogP2.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-cyclopropyl-1-(3-propyltriazol-4-yl)propyl]hydrazine
CID 105335544
2-cyclopropyl-2-ethoxy-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114689223
3-cyclopentyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038705
N-ethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 114688493
2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol
CID 115834151
N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687454
N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687200
cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
[cyclooctyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105255083
N-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688139
N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923832

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine (CID 105038639) is 2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine is CCCn1nncc1C(NCC)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine?
The InChIKey is CLJCGRZYKDLLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-8-17-12(9-15-16-17)13(14-5-2)10(3)11-6-7-11/h9-11,13-14H,4-8H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine?
2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 105038639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).