(2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol

C12H24F2N2O — CID 137496274

IUPAC(2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol
SMILESCC(C)C(F)(F)[C@H](N)C(O)N(C)C1CCCC1
InChIInChI=1S/C12H24F2N2O/c1-8(2)12(13,14)10(15)11(17)16(3)9-6-4-5-7-9/h8-11,17H,4-7,15H2,1-3H3/t10-,11?/m1/s1
InChIKeyIROBKWRRFFSOOH-NFJWQWPMSA-N
MW250.33 g/mol
LogP1.80
Rot. Bonds5

About (2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol

(2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol (PubChem CID 137496274) has the molecular formula C12H24F2N2O and a molecular weight of 250.33 g/mol. Its IUPAC name is (2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol
PubChem CID137496274
Molecular FormulaC12H24F2N2O
Molecular Weight250.33 g/mol
Exact Mass250.19
IUPAC Name(2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol
SMILESCC(C)C(F)(F)[C@H](N)C(O)N(C)C1CCCC1
InChIInChI=1S/C12H24F2N2O/c1-8(2)12(13,14)10(15)11(17)16(3)9-6-4-5-7-9/h8-11,17H,4-7,15H2,1-3H3/t10-,11?/m1/s1
InChIKeyIROBKWRRFFSOOH-NFJWQWPMSA-N
XLogP1.80
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol?
The IUPAC name of (2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol (CID 137496274) is (2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol.
What is the SMILES notation for (2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol?
The canonical SMILES for (2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol is CC(C)C(F)(F)[C@H](N)C(O)N(C)C1CCCC1.
What is the InChIKey of (2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol?
The InChIKey is IROBKWRRFFSOOH-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H24F2N2O/c1-8(2)12(13,14)10(15)11(17)16(3)9-6-4-5-7-9/h8-11,17H,4-7,15H2,1-3H3/t10-,11?/m1/s1.
What are the key properties of (2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol?
(2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol has a molecular weight of 250.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol is sourced from PubChem (CID 137496274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).