1-[(1-tert-butyltriazol-4-yl)methyl]-4-methylpyrrolidin-3-amine

C12H23N5 — CID 120909003

IUPAC1-[(1-tert-butyltriazol-4-yl)methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2cn(C(C)(C)C)nn2)CC1N
InChIInChI=1S/C12H23N5/c1-9-5-16(8-11(9)13)6-10-7-17(15-14-10)12(2,3)4/h7,9,11H,5-6,8,13H2,1-4H3
InChIKeyVSTGRRUWEFUWNK-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.81
Rot. Bonds2

About 1-[(1-tert-butyltriazol-4-yl)methyl]-4-methylpyrrolidin-3-amine

1-[(1-tert-butyltriazol-4-yl)methyl]-4-methylpyrrolidin-3-amine (PubChem CID 120909003) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[(1-tert-butyltriazol-4-yl)methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(1-tert-butyltriazol-4-yl)methyl]-4-methylpyrrolidin-3-amine
PubChem CID120909003
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name1-[(1-tert-butyltriazol-4-yl)methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2cn(C(C)(C)C)nn2)CC1N
InChIInChI=1S/C12H23N5/c1-9-5-16(8-11(9)13)6-10-7-17(15-14-10)12(2,3)4/h7,9,11H,5-6,8,13H2,1-4H3
InChIKeyVSTGRRUWEFUWNK-UHFFFAOYSA-N
XLogP0.81
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltriazol-4-yl)methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(1-tert-butyltriazol-4-yl)methyl]-4-methylpyrrolidin-3-amine (CID 120909003) is 1-[(1-tert-butyltriazol-4-yl)methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(1-tert-butyltriazol-4-yl)methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(1-tert-butyltriazol-4-yl)methyl]-4-methylpyrrolidin-3-amine is CC1CN(Cc2cn(C(C)(C)C)nn2)CC1N.
What is the InChIKey of 1-[(1-tert-butyltriazol-4-yl)methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is VSTGRRUWEFUWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-9-5-16(8-11(9)13)6-10-7-17(15-14-10)12(2,3)4/h7,9,11H,5-6,8,13H2,1-4H3.
What are the key properties of 1-[(1-tert-butyltriazol-4-yl)methyl]-4-methylpyrrolidin-3-amine?
1-[(1-tert-butyltriazol-4-yl)methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 237.35 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyltriazol-4-yl)methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 120909003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).