CID 91040426

C15H35NO — CID 91040426

IUPAC—
SMILESCN1C(C)(C)CC2(CCC(C)(C)O2)CC1(C)C.[3H][3H].[3H][3H].[3H][3H]
InChIInChI=1S/C15H29NO.3H2/c1-12(2)10-15(9-8-14(5,6)17-15)11-13(3,4)16(12)7;;;/h8-11H2,1-7H3;3*1H/i;3*1+2T
InChIKeyODAXHHDYSFUEKZ-GXWVFBEZSA-N
MW257.50 g/mol
LogP4.34
Rot. Bonds

About CID 91040426

CID 91040426 (PubChem CID 91040426) has the molecular formula C15H35NO and a molecular weight of 257.50 g/mol.

Molecular Properties

Compound NameCID 91040426
PubChem CID91040426
Molecular FormulaC15H35NO
Molecular Weight257.50 g/mol
Exact Mass257.32
IUPAC Name—
SMILESCN1C(C)(C)CC2(CCC(C)(C)O2)CC1(C)C.[3H][3H].[3H][3H].[3H][3H]
InChIInChI=1S/C15H29NO.3H2/c1-12(2)10-15(9-8-14(5,6)17-15)11-13(3,4)16(12)7;;;/h8-11H2,1-7H3;3*1H/i;3*1+2T
InChIKeyODAXHHDYSFUEKZ-GXWVFBEZSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.50
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 91040426?
The IUPAC name of CID 91040426 (CID 91040426) is not available.
What is the SMILES notation for CID 91040426?
The canonical SMILES for CID 91040426 is CN1C(C)(C)CC2(CCC(C)(C)O2)CC1(C)C.[3H][3H].[3H][3H].[3H][3H].
What is the InChIKey of CID 91040426?
The InChIKey is ODAXHHDYSFUEKZ-GXWVFBEZSA-N. The full InChI is InChI=1S/C15H29NO.3H2/c1-12(2)10-15(9-8-14(5,6)17-15)11-13(3,4)16(12)7;;;/h8-11H2,1-7H3;3*1H/i;3*1+2T.
What are the key properties of CID 91040426?
CID 91040426 has a molecular weight of 257.50 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91040426 is sourced from PubChem (CID 91040426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).