N-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C15H22N4O — CID 103398651

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(C)(C)n1cc(CNC2CCCc3occc32)nn1
InChIInChI=1S/C15H22N4O/c1-15(2,3)19-10-11(17-18-19)9-16-13-5-4-6-14-12(13)7-8-20-14/h7-8,10,13,16H,4-6,9H2,1-3H3
InChIKeyDSMPSYNEJMCTJD-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.79
Rot. Bonds3

About N-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 103398651) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID103398651
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(C)(C)n1cc(CNC2CCCc3occc32)nn1
InChIInChI=1S/C15H22N4O/c1-15(2,3)19-10-11(17-18-19)9-16-13-5-4-6-14-12(13)7-8-20-14/h7-8,10,13,16H,4-6,9H2,1-3H3
InChIKeyDSMPSYNEJMCTJD-UHFFFAOYSA-N
XLogP2.79
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-tert-butyltriazol-4-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 103398822
N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 103398815
N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 81499013
N-[(1-methylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 66399566
N-(1,2-oxazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 106415750
2-[4-[[[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]amino]methyl]phenyl]propan-2-ol
CID 129402709
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 112549268
N-(2-methoxy-2-methylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104759614
N-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466452
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466013
N-[(4-cyclopropylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 79969251
N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466646

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 103398651) is N-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CC(C)(C)n1cc(CNC2CCCc3occc32)nn1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is DSMPSYNEJMCTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(2,3)19-10-11(17-18-19)9-16-13-5-4-6-14-12(13)7-8-20-14/h7-8,10,13,16H,4-6,9H2,1-3H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 274.37 g/mol, XLogP of 2.79, 3 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]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 103398651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).