N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine

C12H24N4O2 — CID 103527647

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine
SMILESCOCC(CNCc1cn(C(C)(C)C)nn1)OC
InChIInChI=1S/C12H24N4O2/c1-12(2,3)16-8-10(14-15-16)6-13-7-11(18-5)9-17-4/h8,11,13H,6-7,9H2,1-5H3
InChIKeyZXPPUFIWLLYRHZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.78
Rot. Bonds7

About N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine

N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine (PubChem CID 103527647) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine
PubChem CID103527647
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine
SMILESCOCC(CNCc1cn(C(C)(C)C)nn1)OC
InChIInChI=1S/C12H24N4O2/c1-12(2,3)16-8-10(14-15-16)6-13-7-11(18-5)9-17-4/h8,11,13H,6-7,9H2,1-5H3
InChIKeyZXPPUFIWLLYRHZ-UHFFFAOYSA-N
XLogP0.78
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol
CID 103399191
1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol
CID 103399417
3-[(1-tert-butyltriazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103527457
N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 103399289
3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide
CID 103399373
2-[[(1-tert-butyltriazol-4-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122128001
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
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 103527182
N-[(1-tert-butyltriazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 103398948
tert-butyl N-[1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-yl]carbamate
CID 107250505

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine (CID 103527647) is N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine is COCC(CNCc1cn(C(C)(C)C)nn1)OC.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine?
The InChIKey is ZXPPUFIWLLYRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-12(2,3)16-8-10(14-15-16)6-13-7-11(18-5)9-17-4/h8,11,13H,6-7,9H2,1-5H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine?
N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine is sourced from PubChem (CID 103527647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).