2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol

C17H25N3O — CID 106506896

IUPAC2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol
SMILESCCn1nc(CC(CN)(CO)CC2CC2)c2ccccc21
InChIInChI=1S/C17H25N3O/c1-2-20-16-6-4-3-5-14(16)15(19-20)10-17(11-18,12-21)9-13-7-8-13/h3-6,13,21H,2,7-12,18H2,1H3
InChIKeyVUHSQJCBKPWAFO-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.34
Rot. Bonds7

About 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol

2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol (PubChem CID 106506896) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol
PubChem CID106506896
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol
SMILESCCn1nc(CC(CN)(CO)CC2CC2)c2ccccc21
InChIInChI=1S/C17H25N3O/c1-2-20-16-6-4-3-5-14(16)15(19-20)10-17(11-18,12-21)9-13-7-8-13/h3-6,13,21H,2,7-12,18H2,1H3
InChIKeyVUHSQJCBKPWAFO-UHFFFAOYSA-N
XLogP2.34
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol (CID 106506896) is 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol is CCn1nc(CC(CN)(CO)CC2CC2)c2ccccc21.
What is the InChIKey of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol?
The InChIKey is VUHSQJCBKPWAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-20-16-6-4-3-5-14(16)15(19-20)10-17(11-18,12-21)9-13-7-8-13/h3-6,13,21H,2,7-12,18H2,1H3.
What are the key properties of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol?
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol has a molecular weight of 287.41 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1-ethylindazol-3-yl)propan-1-ol is sourced from PubChem (CID 106506896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).