1-(cyclobutylmethyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine

C16H29N5 — CID 71928247

IUPAC1-(cyclobutylmethyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCCn1c(C)nnc1CN(C)C1CCN(CC2CCC2)C1
InChIInChI=1S/C16H29N5/c1-4-21-13(2)17-18-16(21)12-19(3)15-8-9-20(11-15)10-14-6-5-7-14/h14-15H,4-12H2,1-3H3
InChIKeyQQJSYMKWVMADDR-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.91
Rot. Bonds6

About 1-(cyclobutylmethyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine

1-(cyclobutylmethyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 71928247) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID71928247
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name1-(cyclobutylmethyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCCn1c(C)nnc1CN(C)C1CCN(CC2CCC2)C1
InChIInChI=1S/C16H29N5/c1-4-21-13(2)17-18-16(21)12-19(3)15-8-9-20(11-15)10-14-6-5-7-14/h14-15H,4-12H2,1-3H3
InChIKeyQQJSYMKWVMADDR-UHFFFAOYSA-N
XLogP1.91
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(cyclobutylmethyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine (CID 71928247) is 1-(cyclobutylmethyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(cyclobutylmethyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(cyclobutylmethyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine is CCn1c(C)nnc1CN(C)C1CCN(CC2CCC2)C1.
What is the InChIKey of 1-(cyclobutylmethyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is QQJSYMKWVMADDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-4-21-13(2)17-18-16(21)12-19(3)15-8-9-20(11-15)10-14-6-5-7-14/h14-15H,4-12H2,1-3H3.
What are the key properties of 1-(cyclobutylmethyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine?
1-(cyclobutylmethyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 291.44 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 71928247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).