N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine

C14H27N5 — CID 103399289

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1cn(C(C)(C)C)nn1)N1CCCC1
InChIInChI=1S/C14H27N5/c1-12(18-7-5-6-8-18)9-15-10-13-11-19(17-16-13)14(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyILGDOYHGEWPDPN-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.61
Rot. Bonds5

About N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine

N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 103399289) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID103399289
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1cn(C(C)(C)C)nn1)N1CCCC1
InChIInChI=1S/C14H27N5/c1-12(18-7-5-6-8-18)9-15-10-13-11-19(17-16-13)14(2,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyILGDOYHGEWPDPN-UHFFFAOYSA-N
XLogP1.61
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 55113610
1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol
CID 103399417
3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol
CID 103399191
3-[(1-tert-butyltriazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103527457
1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 103527182
2-[[(1-tert-butyltriazol-4-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122128001
N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine
CID 103527647
2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 78968604
3-[(1-tert-butyltriazol-4-yl)methylamino]propanenitrile
CID 103398646
N-[(1-tert-butyltriazol-4-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 103399419
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103399091
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine (CID 103399289) is N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine is CC(CNCc1cn(C(C)(C)C)nn1)N1CCCC1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is ILGDOYHGEWPDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-12(18-7-5-6-8-18)9-15-10-13-11-19(17-16-13)14(2,3)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine?
N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 103399289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).