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

C16H22N4O — CID 103398815

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)(C)n1cc(CNC2CCOc3ccccc32)nn1
InChIInChI=1S/C16H22N4O/c1-16(2,3)20-11-12(18-19-20)10-17-14-8-9-21-15-7-5-4-6-13(14)15/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyRTOBSSFZIGANBE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.65
Rot. Bonds3

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

N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103398815) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID103398815
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)(C)n1cc(CNC2CCOc3ccccc32)nn1
InChIInChI=1S/C16H22N4O/c1-16(2,3)20-11-12(18-19-20)10-17-14-8-9-21-15-7-5-4-6-13(14)15/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyRTOBSSFZIGANBE-UHFFFAOYSA-N
XLogP2.65
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103398651
(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 94276035
N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropyloxolan-3-amine
CID 103527586
N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43223509
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
CID 103527388
N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62760281
N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 103398563
N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 103398837
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 103398947
N-[(3,4,5-trifluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 63051373
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 103398815) is N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is CC(C)(C)n1cc(CNC2CCOc3ccccc32)nn1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RTOBSSFZIGANBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,3)20-11-12(18-19-20)10-17-14-8-9-21-15-7-5-4-6-13(14)15/h4-7,11,14,17H,8-10H2,1-3H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.65, 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]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103398815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).