(3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol

C15H31NO — CID 170266119

IUPAC(3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol
SMILESCCCCCCC(CCC)C1CN(C)C[C@H]1O
InChIInChI=1S/C15H31NO/c1-4-6-7-8-10-13(9-5-2)14-11-16(3)12-15(14)17/h13-15,17H,4-12H2,1-3H3/t13?,14?,15-/m1/s1
InChIKeyDLABLSQJEIFXAY-YMAMQOFZSA-N
MW241.42 g/mol
LogP3.30
Rot. Bonds8

About (3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol

(3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol (PubChem CID 170266119) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is (3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol
PubChem CID170266119
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name(3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol
SMILESCCCCCCC(CCC)C1CN(C)C[C@H]1O
InChIInChI=1S/C15H31NO/c1-4-6-7-8-10-13(9-5-2)14-11-16(3)12-15(14)17/h13-15,17H,4-12H2,1-3H3/t13?,14?,15-/m1/s1
InChIKeyDLABLSQJEIFXAY-YMAMQOFZSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol?
The IUPAC name of (3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol (CID 170266119) is (3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol?
The canonical SMILES for (3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol is CCCCCCC(CCC)C1CN(C)C[C@H]1O.
What is the InChIKey of (3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol?
The InChIKey is DLABLSQJEIFXAY-YMAMQOFZSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-6-7-8-10-13(9-5-2)14-11-16(3)12-15(14)17/h13-15,17H,4-12H2,1-3H3/t13?,14?,15-/m1/s1.
What are the key properties of (3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol?
(3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol has a molecular weight of 241.42 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 170266119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).