4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane

C16H35NO2 — CID 161174524

IUPAC4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane
SMILESCC(C)(C)CCCO.CCC.CCNC(=O)C1CC1
InChIInChI=1S/C7H16O.C6H11NO.C3H8/c1-7(2,3)5-4-6-8;1-2-7-6(8)5-3-4-5;1-3-2/h8H,4-6H2,1-3H3;5H,2-4H2,1H3,(H,7,8);3H2,1-2H3
InChIKeyURPXFYYCGMETPZ-UHFFFAOYSA-N
MW273.46 g/mol
LogP3.75
Rot. Bonds4

About 4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane

4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane (PubChem CID 161174524) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is 4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane.

Molecular Properties

Compound Name4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane
PubChem CID161174524
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Name4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane
SMILESCC(C)(C)CCCO.CCC.CCNC(=O)C1CC1
InChIInChI=1S/C7H16O.C6H11NO.C3H8/c1-7(2,3)5-4-6-8;1-2-7-6(8)5-3-4-5;1-3-2/h8H,4-6H2,1-3H3;5H,2-4H2,1H3,(H,7,8);3H2,1-2H3
InChIKeyURPXFYYCGMETPZ-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,4-dimethylpentyl)cyclopropanecarboxamide
CID 110421021
N-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide
CID 139316795
N-[3-(ethylamino)-2,2-dimethyl-3-oxopropyl]cyclopropanecarboxamide
CID 71845564
ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide
CID 164564557
4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide
CID 103899307
N-ethyl-5,5-dimethylhexanamide
CID 121264886
N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide
CID 113351776
4,4-dimethylpentan-1-ol;tungsten
CID 140674577
N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide
CID 123444332
N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
N-[2-(6-hydroxyhexylamino)ethyl]cyclopropanecarboxamide
CID 103738634
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane?
The IUPAC name of 4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane (CID 161174524) is 4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane.
What is the SMILES notation for 4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane?
The canonical SMILES for 4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane is CC(C)(C)CCCO.CCC.CCNC(=O)C1CC1.
What is the InChIKey of 4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane?
The InChIKey is URPXFYYCGMETPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.C6H11NO.C3H8/c1-7(2,3)5-4-6-8;1-2-7-6(8)5-3-4-5;1-3-2/h8H,4-6H2,1-3H3;5H,2-4H2,1H3,(H,7,8);3H2,1-2H3.
What are the key properties of 4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane?
4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane has a molecular weight of 273.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane is sourced from PubChem (CID 161174524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).