cis-(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-pentylcyclohexan-1-amine

C19H29N3O — CID 69429735

IUPACcis-(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-pentylcyclohexan-1-amine
SMILESCCCCCN[C@@H]1CCC[C@H](Oc2ccc3[nH]ncc3c2C)C1
InChIInChI=1S/C19H29N3O/c1-3-4-5-11-20-15-7-6-8-16(12-15)23-19-10-9-18-17(14(19)2)13-21-22-18/h9-10,13,15-16,20H,3-8,11-12H2,1-2H3,(H,21,22)/t15-,16+/m1/s1
InChIKeyLYNDNFBPMZCVAQ-CVEARBPZSA-N
MW315.46 g/mol
LogP4.34
Rot. Bonds7

About cis-(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-pentylcyclohexan-1-amine

cis-(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-pentylcyclohexan-1-amine (PubChem CID 69429735) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-pentylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-pentylcyclohexan-1-amine
PubChem CID69429735
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Namecis-(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-pentylcyclohexan-1-amine
SMILESCCCCCN[C@@H]1CCC[C@H](Oc2ccc3[nH]ncc3c2C)C1
InChIInChI=1S/C19H29N3O/c1-3-4-5-11-20-15-7-6-8-16(12-15)23-19-10-9-18-17(14(19)2)13-21-22-18/h9-10,13,15-16,20H,3-8,11-12H2,1-2H3,(H,21,22)/t15-,16+/m1/s1
InChIKeyLYNDNFBPMZCVAQ-CVEARBPZSA-N
XLogP4.34
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.34
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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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-pentylcyclohexan-1-amine?
The IUPAC name of cis-(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-pentylcyclohexan-1-amine (CID 69429735) is cis-(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-pentylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-pentylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-pentylcyclohexan-1-amine is CCCCCN[C@@H]1CCC[C@H](Oc2ccc3[nH]ncc3c2C)C1.
What is the InChIKey of cis-(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-pentylcyclohexan-1-amine?
The InChIKey is LYNDNFBPMZCVAQ-CVEARBPZSA-N. The full InChI is InChI=1S/C19H29N3O/c1-3-4-5-11-20-15-7-6-8-16(12-15)23-19-10-9-18-17(14(19)2)13-21-22-18/h9-10,13,15-16,20H,3-8,11-12H2,1-2H3,(H,21,22)/t15-,16+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-pentylcyclohexan-1-amine?
cis-(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-pentylcyclohexan-1-amine has a molecular weight of 315.46 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-pentylcyclohexan-1-amine is sourced from PubChem (CID 69429735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).