ethane;methane;N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]-2-piperidin-1-ylethanamine;molecular hydrogen

C18H38N2 — CID 142068035

IUPACethane;methane;N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]-2-piperidin-1-ylethanamine;molecular hydrogen
SMILESC.CC.CC1=CC=CC(CNCCN2CCCCC2)C1.[H][H]
InChIInChI=1S/C15H26N2.C2H6.CH4.H2/c1-14-6-5-7-15(12-14)13-16-8-11-17-9-3-2-4-10-17;1-2;;/h5-7,15-16H,2-4,8-13H2,1H3;1-2H3;1H4;1H
InChIKeyFPCGMANSVBOEIM-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.49
Rot. Bonds5

About ethane;methane;N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]-2-piperidin-1-ylethanamine;molecular hydrogen

ethane;methane;N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]-2-piperidin-1-ylethanamine;molecular hydrogen (PubChem CID 142068035) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is ethane;methane;N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]-2-piperidin-1-ylethanamine;molecular hydrogen.

Molecular Properties

Compound Nameethane;methane;N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]-2-piperidin-1-ylethanamine;molecular hydrogen
PubChem CID142068035
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Nameethane;methane;N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]-2-piperidin-1-ylethanamine;molecular hydrogen
SMILESC.CC.CC1=CC=CC(CNCCN2CCCCC2)C1.[H][H]
InChIInChI=1S/C15H26N2.C2H6.CH4.H2/c1-14-6-5-7-15(12-14)13-16-8-11-17-9-3-2-4-10-17;1-2;;/h5-7,15-16H,2-4,8-13H2,1H3;1-2H3;1H4;1H
InChIKeyFPCGMANSVBOEIM-UHFFFAOYSA-N
XLogP4.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]-2-piperidin-1-ylethanamine;molecular hydrogen?
The IUPAC name of ethane;methane;N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]-2-piperidin-1-ylethanamine;molecular hydrogen (CID 142068035) is ethane;methane;N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]-2-piperidin-1-ylethanamine;molecular hydrogen.
What is the SMILES notation for ethane;methane;N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]-2-piperidin-1-ylethanamine;molecular hydrogen?
The canonical SMILES for ethane;methane;N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]-2-piperidin-1-ylethanamine;molecular hydrogen is C.CC.CC1=CC=CC(CNCCN2CCCCC2)C1.[H][H].
What is the InChIKey of ethane;methane;N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]-2-piperidin-1-ylethanamine;molecular hydrogen?
The InChIKey is FPCGMANSVBOEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2.C2H6.CH4.H2/c1-14-6-5-7-15(12-14)13-16-8-11-17-9-3-2-4-10-17;1-2;;/h5-7,15-16H,2-4,8-13H2,1H3;1-2H3;1H4;1H.
What are the key properties of ethane;methane;N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]-2-piperidin-1-ylethanamine;molecular hydrogen?
ethane;methane;N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]-2-piperidin-1-ylethanamine;molecular hydrogen has a molecular weight of 282.52 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]-2-piperidin-1-ylethanamine;molecular hydrogen is sourced from PubChem (CID 142068035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).