2-ethyl-1-(3-methyltriazol-4-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine

C16H31N5 — CID 114688377

IUPAC2-ethyl-1-(3-methyltriazol-4-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCCNC(c1cnnn1C)C(CC)(CC)N1CCCC1
InChIInChI=1S/C16H31N5/c1-5-10-17-15(14-13-18-19-20(14)4)16(6-2,7-3)21-11-8-9-12-21/h13,15,17H,5-12H2,1-4H3
InChIKeyULUCDPNKMSKQAE-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.51
Rot. Bonds8

About 2-ethyl-1-(3-methyltriazol-4-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine

2-ethyl-1-(3-methyltriazol-4-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 114688377) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-ethyl-1-(3-methyltriazol-4-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(3-methyltriazol-4-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID114688377
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name2-ethyl-1-(3-methyltriazol-4-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCCNC(c1cnnn1C)C(CC)(CC)N1CCCC1
InChIInChI=1S/C16H31N5/c1-5-10-17-15(14-13-18-19-20(14)4)16(6-2,7-3)21-11-8-9-12-21/h13,15,17H,5-12H2,1-4H3
InChIKeyULUCDPNKMSKQAE-UHFFFAOYSA-N
XLogP2.51
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79057663
2-methyl-2-methylsulfonyl-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 105043401
1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 114687206
N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687199
2-ethyl-1-(3-methylthiophen-2-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79997745
1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656648
N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689357
1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine
CID 105043647
3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine
CID 105043705
2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine
CID 79045060
N',N'-dimethyl-1-(3-methyltriazol-4-yl)-N-propylpropane-1,3-diamine
CID 114688885
N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114688103

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-methyltriazol-4-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(3-methyltriazol-4-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine (CID 114688377) is 2-ethyl-1-(3-methyltriazol-4-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(3-methyltriazol-4-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(3-methyltriazol-4-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine is CCCNC(c1cnnn1C)C(CC)(CC)N1CCCC1.
What is the InChIKey of 2-ethyl-1-(3-methyltriazol-4-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is ULUCDPNKMSKQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-5-10-17-15(14-13-18-19-20(14)4)16(6-2,7-3)21-11-8-9-12-21/h13,15,17H,5-12H2,1-4H3.
What are the key properties of 2-ethyl-1-(3-methyltriazol-4-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
2-ethyl-1-(3-methyltriazol-4-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 293.46 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-methyltriazol-4-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 114688377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).