N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine

C14H21N3O — CID 71923123

IUPACN-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCc1cccc2cn[nH]c12
InChIInChI=1S/C14H21N3O/c1-11(2)18-8-4-7-15-9-12-5-3-6-13-10-16-17-14(12)13/h3,5-6,10-11,15H,4,7-9H2,1-2H3,(H,16,17)
InChIKeySFWJJTZSQODMIQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.47
Rot. Bonds7

About N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine

N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine (PubChem CID 71923123) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine
PubChem CID71923123
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCc1cccc2cn[nH]c12
InChIInChI=1S/C14H21N3O/c1-11(2)18-8-4-7-15-9-12-5-3-6-13-10-16-17-14(12)13/h3,5-6,10-11,15H,4,7-9H2,1-2H3,(H,16,17)
InChIKeySFWJJTZSQODMIQ-UHFFFAOYSA-N
XLogP2.47
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine
CID 115684234
N'-(2,2-difluoroethyl)-N-(1H-indazol-7-ylmethyl)-N'-methylethane-1,2-diamine
CID 155953082
3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43771400
3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 43662494
7-(2-methylpropyl)-1H-indazole
CID 167194868
N-(1H-indazol-7-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine
CID 71974601
N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 80701789
2-[(2-propan-2-yloxyethylamino)methyl]phenol
CID 104588313
3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol
CID 111969470
2-(4-fluorophenyl)-N-[2-(1H-indazol-7-ylmethylamino)ethyl]acetamide
CID 75377637
2-(4-chlorophenyl)sulfonyl-N-(1H-indazol-7-ylmethyl)ethanamine
CID 75377636
3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28726645

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine (CID 71923123) is N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine is CC(C)OCCCNCc1cccc2cn[nH]c12.
What is the InChIKey of N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine?
The InChIKey is SFWJJTZSQODMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(2)18-8-4-7-15-9-12-5-3-6-13-10-16-17-14(12)13/h3,5-6,10-11,15H,4,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine?
N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 71923123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).