1,1-dimethylcyclohexane;methanol;N-methylmethanamine;propane;bis(propan-2-one)

C23H55NO3 — CID 142188932

IUPAC1,1-dimethylcyclohexane;methanol;N-methylmethanamine;propane;bis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.CC1(C)CCCCC1.CCC.CCC.CNC.CO
InChIInChI=1S/C8H16.2C3H6O.2C3H8.C2H7N.CH4O/c1-8(2)6-4-3-5-7-8;2*1-3(2)4;3*1-3-2;1-2/h3-7H2,1-2H3;2*1-2H3;2*3H2,1-2H3;3H,1-2H3;2H,1H3
InChIKeyPCIBCHASNBZSRF-UHFFFAOYSA-N
MW393.70 g/mol
LogP6.44
Rot. Bonds

About 1,1-dimethylcyclohexane;methanol;N-methylmethanamine;propane;bis(propan-2-one)

1,1-dimethylcyclohexane;methanol;N-methylmethanamine;propane;bis(propan-2-one) (PubChem CID 142188932) has the molecular formula C23H55NO3 and a molecular weight of 393.70 g/mol. Its IUPAC name is 1,1-dimethylcyclohexane;methanol;N-methylmethanamine;propane;bis(propan-2-one).

Molecular Properties

Compound Name1,1-dimethylcyclohexane;methanol;N-methylmethanamine;propane;bis(propan-2-one)
PubChem CID142188932
Molecular FormulaC23H55NO3
Molecular Weight393.70 g/mol
Exact Mass393.42
IUPAC Name1,1-dimethylcyclohexane;methanol;N-methylmethanamine;propane;bis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.CC1(C)CCCCC1.CCC.CCC.CNC.CO
InChIInChI=1S/C8H16.2C3H6O.2C3H8.C2H7N.CH4O/c1-8(2)6-4-3-5-7-8;2*1-3(2)4;3*1-3-2;1-2/h3-7H2,1-2H3;2*1-2H3;2*3H2,1-2H3;3H,1-2H3;2H,1H3
InChIKeyPCIBCHASNBZSRF-UHFFFAOYSA-N
XLogP6.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.70
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dimethylcyclobutane;1,1-dimethylcyclopropane;ethane;N-methylmethanamine;propane
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1,1-dimethylcyclononane
CID 59289773
1,1-dimethylcyclohexane;methane
CID 160770296
azane;1,1-dimethylcyclohexane
CID 90411117
1,6,6-trimethylcycloundecane-1-carboxylic acid
CID 70908763
(1-methylcyclohexyl) acetate;propane
CID 143035856
1,6,6-trimethyl-N-sulfanylcycloundecane-1-carboxamide
CID 134355563
1-(4,4-dimethylpiperidin-1-yl)ethanone;propane
CID 166079085
carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)
CID 162284828
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227
1,1-dimethylcyclopentane;zinc
CID 174960258

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclohexane;methanol;N-methylmethanamine;propane;bis(propan-2-one)?
The IUPAC name of 1,1-dimethylcyclohexane;methanol;N-methylmethanamine;propane;bis(propan-2-one) (CID 142188932) is 1,1-dimethylcyclohexane;methanol;N-methylmethanamine;propane;bis(propan-2-one).
What is the SMILES notation for 1,1-dimethylcyclohexane;methanol;N-methylmethanamine;propane;bis(propan-2-one)?
The canonical SMILES for 1,1-dimethylcyclohexane;methanol;N-methylmethanamine;propane;bis(propan-2-one) is CC(C)=O.CC(C)=O.CC1(C)CCCCC1.CCC.CCC.CNC.CO.
What is the InChIKey of 1,1-dimethylcyclohexane;methanol;N-methylmethanamine;propane;bis(propan-2-one)?
The InChIKey is PCIBCHASNBZSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.2C3H6O.2C3H8.C2H7N.CH4O/c1-8(2)6-4-3-5-7-8;2*1-3(2)4;3*1-3-2;1-2/h3-7H2,1-2H3;2*1-2H3;2*3H2,1-2H3;3H,1-2H3;2H,1H3.
What are the key properties of 1,1-dimethylcyclohexane;methanol;N-methylmethanamine;propane;bis(propan-2-one)?
1,1-dimethylcyclohexane;methanol;N-methylmethanamine;propane;bis(propan-2-one) has a molecular weight of 393.70 g/mol, XLogP of 6.44, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylcyclohexane;methanol;N-methylmethanamine;propane;bis(propan-2-one) is sourced from PubChem (CID 142188932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).