N-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide

C15H27NO2 — CID 111750779

IUPACN-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)C1C2CCCC21
InChIInChI=1S/C15H27NO2/c1-3-8-15(18,9-4-2)10-16-14(17)13-11-6-5-7-12(11)13/h11-13,18H,3-10H2,1-2H3,(H,16,17)
InChIKeyJDMIAQVPGXVTAO-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.48
Rot. Bonds7

About N-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide

N-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 111750779) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID111750779
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)C1C2CCCC21
InChIInChI=1S/C15H27NO2/c1-3-8-15(18,9-4-2)10-16-14(17)13-11-6-5-7-12(11)13/h11-13,18H,3-10H2,1-2H3,(H,16,17)
InChIKeyJDMIAQVPGXVTAO-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-propylpentyl)cyclopropanecarboxamide
CID 111444767
N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119640656
N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 115364638
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 104857980
N-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 120653330
2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide
CID 111444858
(1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 98231110
1-cyclohex-3-en-1-yl-3-(2-hydroxy-2-propylpentyl)urea
CID 111438902
N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide
CID 79139027
N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 81478899

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide (CID 111750779) is N-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide is CCCC(O)(CCC)CNC(=O)C1C2CCCC21.
What is the InChIKey of N-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is JDMIAQVPGXVTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-8-15(18,9-4-2)10-16-14(17)13-11-6-5-7-12(11)13/h11-13,18H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 111750779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).