(1-anilino-4-propan-2-ylcycloheptyl)methanol

C17H27NO — CID 65090420

IUPAC(1-anilino-4-propan-2-ylcycloheptyl)methanol
SMILESCC(C)C1CCCC(CO)(Nc2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-14(2)15-7-6-11-17(13-19,12-10-15)18-16-8-4-3-5-9-16/h3-5,8-9,14-15,18-19H,6-7,10-13H2,1-2H3
InChIKeyNKPUGUPXIRNEDD-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.07
Rot. Bonds4

About (1-anilino-4-propan-2-ylcycloheptyl)methanol

(1-anilino-4-propan-2-ylcycloheptyl)methanol (PubChem CID 65090420) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (1-anilino-4-propan-2-ylcycloheptyl)methanol.

Molecular Properties

Compound Name(1-anilino-4-propan-2-ylcycloheptyl)methanol
PubChem CID65090420
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(1-anilino-4-propan-2-ylcycloheptyl)methanol
SMILESCC(C)C1CCCC(CO)(Nc2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-14(2)15-7-6-11-17(13-19,12-10-15)18-16-8-4-3-5-9-16/h3-5,8-9,14-15,18-19H,6-7,10-13H2,1-2H3
InChIKeyNKPUGUPXIRNEDD-UHFFFAOYSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-anilino-4-propan-2-ylcycloheptyl)methanol?
The IUPAC name of (1-anilino-4-propan-2-ylcycloheptyl)methanol (CID 65090420) is (1-anilino-4-propan-2-ylcycloheptyl)methanol.
What is the SMILES notation for (1-anilino-4-propan-2-ylcycloheptyl)methanol?
The canonical SMILES for (1-anilino-4-propan-2-ylcycloheptyl)methanol is CC(C)C1CCCC(CO)(Nc2ccccc2)CC1.
What is the InChIKey of (1-anilino-4-propan-2-ylcycloheptyl)methanol?
The InChIKey is NKPUGUPXIRNEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)15-7-6-11-17(13-19,12-10-15)18-16-8-4-3-5-9-16/h3-5,8-9,14-15,18-19H,6-7,10-13H2,1-2H3.
What are the key properties of (1-anilino-4-propan-2-ylcycloheptyl)methanol?
(1-anilino-4-propan-2-ylcycloheptyl)methanol has a molecular weight of 261.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-anilino-4-propan-2-ylcycloheptyl)methanol is sourced from PubChem (CID 65090420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).