[[(2R)-1-cyclohexylpropan-2-yl]amino]-spiro[2.4]heptan-6-ylmethanol

C17H31NO — CID 143641657

IUPAC[[(2R)-1-cyclohexylpropan-2-yl]amino]-spiro[2.4]heptan-6-ylmethanol
SMILESC[C@H](CC1CCCCC1)NC(O)C1CCC2(CC2)C1
InChIInChI=1S/C17H31NO/c1-13(11-14-5-3-2-4-6-14)18-16(19)15-7-8-17(12-15)9-10-17/h13-16,18-19H,2-12H2,1H3/t13-,15?,16?/m1/s1
InChIKeySJUKBYMMZFAXKO-IUDNXUCKSA-N
MW265.44 g/mol
LogP3.83
Rot. Bonds5

About [[(2R)-1-cyclohexylpropan-2-yl]amino]-spiro[2.4]heptan-6-ylmethanol

[[(2R)-1-cyclohexylpropan-2-yl]amino]-spiro[2.4]heptan-6-ylmethanol (PubChem CID 143641657) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is [[(2R)-1-cyclohexylpropan-2-yl]amino]-spiro[2.4]heptan-6-ylmethanol.

Molecular Properties

Compound Name[[(2R)-1-cyclohexylpropan-2-yl]amino]-spiro[2.4]heptan-6-ylmethanol
PubChem CID143641657
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name[[(2R)-1-cyclohexylpropan-2-yl]amino]-spiro[2.4]heptan-6-ylmethanol
SMILESC[C@H](CC1CCCCC1)NC(O)C1CCC2(CC2)C1
InChIInChI=1S/C17H31NO/c1-13(11-14-5-3-2-4-6-14)18-16(19)15-7-8-17(12-15)9-10-17/h13-16,18-19H,2-12H2,1H3/t13-,15?,16?/m1/s1
InChIKeySJUKBYMMZFAXKO-IUDNXUCKSA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[(2R)-1-cyclohexylpropan-2-yl]amino]-spiro[2.4]heptan-6-ylmethanol?
The IUPAC name of [[(2R)-1-cyclohexylpropan-2-yl]amino]-spiro[2.4]heptan-6-ylmethanol (CID 143641657) is [[(2R)-1-cyclohexylpropan-2-yl]amino]-spiro[2.4]heptan-6-ylmethanol.
What is the SMILES notation for [[(2R)-1-cyclohexylpropan-2-yl]amino]-spiro[2.4]heptan-6-ylmethanol?
The canonical SMILES for [[(2R)-1-cyclohexylpropan-2-yl]amino]-spiro[2.4]heptan-6-ylmethanol is C[C@H](CC1CCCCC1)NC(O)C1CCC2(CC2)C1.
What is the InChIKey of [[(2R)-1-cyclohexylpropan-2-yl]amino]-spiro[2.4]heptan-6-ylmethanol?
The InChIKey is SJUKBYMMZFAXKO-IUDNXUCKSA-N. The full InChI is InChI=1S/C17H31NO/c1-13(11-14-5-3-2-4-6-14)18-16(19)15-7-8-17(12-15)9-10-17/h13-16,18-19H,2-12H2,1H3/t13-,15?,16?/m1/s1.
What are the key properties of [[(2R)-1-cyclohexylpropan-2-yl]amino]-spiro[2.4]heptan-6-ylmethanol?
[[(2R)-1-cyclohexylpropan-2-yl]amino]-spiro[2.4]heptan-6-ylmethanol has a molecular weight of 265.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R)-1-cyclohexylpropan-2-yl]amino]-spiro[2.4]heptan-6-ylmethanol is sourced from PubChem (CID 143641657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).