(2R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-pyrazol-1-ylpropan-2-amine

C15H27N3O — CID 124810591

IUPAC(2R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@H](Cn1cccn1)NCCO[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C15H27N3O/c1-13-6-3-4-7-15(13)19-11-9-16-14(2)12-18-10-5-8-17-18/h5,8,10,13-16H,3-4,6-7,9,11-12H2,1-2H3/t13-,14-,15-/m1/s1
InChIKeyUYMSBDFZYNFHIV-RBSFLKMASA-N
MW265.40 g/mol
LogP2.46
Rot. Bonds7

About (2R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-pyrazol-1-ylpropan-2-amine

(2R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 124810591) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (2R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID124810591
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(2R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@H](Cn1cccn1)NCCO[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C15H27N3O/c1-13-6-3-4-7-15(13)19-11-9-16-14(2)12-18-10-5-8-17-18/h5,8,10,13-16H,3-4,6-7,9,11-12H2,1-2H3/t13-,14-,15-/m1/s1
InChIKeyUYMSBDFZYNFHIV-RBSFLKMASA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of (2R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-pyrazol-1-ylpropan-2-amine (CID 124810591) is (2R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for (2R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for (2R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-pyrazol-1-ylpropan-2-amine is C[C@H](Cn1cccn1)NCCO[C@@H]1CCCC[C@H]1C.
What is the InChIKey of (2R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is UYMSBDFZYNFHIV-RBSFLKMASA-N. The full InChI is InChI=1S/C15H27N3O/c1-13-6-3-4-7-15(13)19-11-9-16-14(2)12-18-10-5-8-17-18/h5,8,10,13-16H,3-4,6-7,9,11-12H2,1-2H3/t13-,14-,15-/m1/s1.
What are the key properties of (2R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-pyrazol-1-ylpropan-2-amine?
(2R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 124810591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).