N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine

C16H25N3O — CID 106458301

IUPACN-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine
SMILESCCCOCCn1nc(CNC(C)C)c2ccccc21
InChIInChI=1S/C16H25N3O/c1-4-10-20-11-9-19-16-8-6-5-7-14(16)15(18-19)12-17-13(2)3/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyXKJLPHUPZUKBTA-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.96
Rot. Bonds8

About N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine

N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine (PubChem CID 106458301) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine
PubChem CID106458301
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine
SMILESCCCOCCn1nc(CNC(C)C)c2ccccc21
InChIInChI=1S/C16H25N3O/c1-4-10-20-11-9-19-16-8-6-5-7-14(16)15(18-19)12-17-13(2)3/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyXKJLPHUPZUKBTA-UHFFFAOYSA-N
XLogP2.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine
CID 106458306
1-[1-[2-(3-methoxypropoxy)ethyl]indazol-3-yl]-N-methylmethanamine
CID 103184311
3-ethyl-1-(propoxymethyl)indazole
CID 70846953
(1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine
CID 81395194
N-[[1-[(5-methyloxolan-2-yl)methyl]indazol-3-yl]methyl]propan-2-amine
CID 103140593
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719368
4-chloro-N-[(1-ethylindazol-3-yl)methyl]pentan-2-amine
CID 113376674
1,3-dipropylindazole
CID 174534089
1-(2-ethoxyethyl)indazol-3-amine
CID 62687666
[1-(3-ethoxypropyl)indazol-3-yl]methanamine
CID 65177727
N-[(1-ethylindazol-3-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 104879613
2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol
CID 66402697

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine (CID 106458301) is N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine is CCCOCCn1nc(CNC(C)C)c2ccccc21.
What is the InChIKey of N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine?
The InChIKey is XKJLPHUPZUKBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-10-20-11-9-19-16-8-6-5-7-14(16)15(18-19)12-17-13(2)3/h5-8,13,17H,4,9-12H2,1-3H3.
What are the key properties of N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine?
N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 106458301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).