cyclohexane;1-ethylpiperidine;methane;propane;pyridin-2-amine

C28H65N3 — CID 157422083

IUPACcyclohexane;1-ethylpiperidine;methane;propane;pyridin-2-amine
SMILESC.C.C.C.C1CCCCC1.CCC.CCC.CCN1CCCCC1.Nc1ccccn1
InChIInChI=1S/C7H15N.C6H12.C5H6N2.2C3H8.4CH4/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;6-5-3-1-2-4-7-5;2*1-3-2;;;;/h2-7H2,1H3;1-6H2;1-4H,(H2,6,7);2*3H2,1-2H3;4*1H4
InChIKeyBPNJAWYEYYYCPG-UHFFFAOYSA-N
MW443.85 g/mol
LogP9.87
Rot. Bonds1

About cyclohexane;1-ethylpiperidine;methane;propane;pyridin-2-amine

cyclohexane;1-ethylpiperidine;methane;propane;pyridin-2-amine (PubChem CID 157422083) has the molecular formula C28H65N3 and a molecular weight of 443.85 g/mol. Its IUPAC name is cyclohexane;1-ethylpiperidine;methane;propane;pyridin-2-amine.

Molecular Properties

Compound Namecyclohexane;1-ethylpiperidine;methane;propane;pyridin-2-amine
PubChem CID157422083
Molecular FormulaC28H65N3
Molecular Weight443.85 g/mol
Exact Mass443.52
IUPAC Namecyclohexane;1-ethylpiperidine;methane;propane;pyridin-2-amine
SMILESC.C.C.C.C1CCCCC1.CCC.CCC.CCN1CCCCC1.Nc1ccccn1
InChIInChI=1S/C7H15N.C6H12.C5H6N2.2C3H8.4CH4/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;6-5-3-1-2-4-7-5;2*1-3-2;;;;/h2-7H2,1H3;1-6H2;1-4H,(H2,6,7);2*3H2,1-2H3;4*1H4
InChIKeyBPNJAWYEYYYCPG-UHFFFAOYSA-N
XLogP9.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.85
LogP ≤ 59.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;1-ethylpiperidine;methane;propane;pyridin-2-amine?
The IUPAC name of cyclohexane;1-ethylpiperidine;methane;propane;pyridin-2-amine (CID 157422083) is cyclohexane;1-ethylpiperidine;methane;propane;pyridin-2-amine.
What is the SMILES notation for cyclohexane;1-ethylpiperidine;methane;propane;pyridin-2-amine?
The canonical SMILES for cyclohexane;1-ethylpiperidine;methane;propane;pyridin-2-amine is C.C.C.C.C1CCCCC1.CCC.CCC.CCN1CCCCC1.Nc1ccccn1.
What is the InChIKey of cyclohexane;1-ethylpiperidine;methane;propane;pyridin-2-amine?
The InChIKey is BPNJAWYEYYYCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C6H12.C5H6N2.2C3H8.4CH4/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;6-5-3-1-2-4-7-5;2*1-3-2;;;;/h2-7H2,1H3;1-6H2;1-4H,(H2,6,7);2*3H2,1-2H3;4*1H4.
What are the key properties of cyclohexane;1-ethylpiperidine;methane;propane;pyridin-2-amine?
cyclohexane;1-ethylpiperidine;methane;propane;pyridin-2-amine has a molecular weight of 443.85 g/mol, XLogP of 9.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;1-ethylpiperidine;methane;propane;pyridin-2-amine is sourced from PubChem (CID 157422083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).