ethane;methane;N-methyl-1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]piperidin-3-amine;molecular hydrogen

C17H38N2 — CID 142067930

IUPACethane;methane;N-methyl-1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]piperidin-3-amine;molecular hydrogen
SMILESC.CC.CNC1CCCN(C[C@@H]2CC=C(C)CC2)C1.[H][H]
InChIInChI=1S/C14H26N2.C2H6.CH4.H2/c1-12-5-7-13(8-6-12)10-16-9-3-4-14(11-16)15-2;1-2;;/h5,13-15H,3-4,6-11H2,1-2H3;1-2H3;1H4;1H/t13-,14?;;;/m1.../s1
InChIKeyVWAAMTPVOXEQDL-NSFYLPGLSA-N
MW270.50 g/mol
LogP4.32
Rot. Bonds3

About ethane;methane;N-methyl-1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]piperidin-3-amine;molecular hydrogen

ethane;methane;N-methyl-1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]piperidin-3-amine;molecular hydrogen (PubChem CID 142067930) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is ethane;methane;N-methyl-1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]piperidin-3-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;methane;N-methyl-1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]piperidin-3-amine;molecular hydrogen
PubChem CID142067930
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Nameethane;methane;N-methyl-1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]piperidin-3-amine;molecular hydrogen
SMILESC.CC.CNC1CCCN(C[C@@H]2CC=C(C)CC2)C1.[H][H]
InChIInChI=1S/C14H26N2.C2H6.CH4.H2/c1-12-5-7-13(8-6-12)10-16-9-3-4-14(11-16)15-2;1-2;;/h5,13-15H,3-4,6-11H2,1-2H3;1-2H3;1H4;1H/t13-,14?;;;/m1.../s1
InChIKeyVWAAMTPVOXEQDL-NSFYLPGLSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;N-methyl-1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]piperidin-3-amine;molecular hydrogen?
The IUPAC name of ethane;methane;N-methyl-1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]piperidin-3-amine;molecular hydrogen (CID 142067930) is ethane;methane;N-methyl-1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]piperidin-3-amine;molecular hydrogen.
What is the SMILES notation for ethane;methane;N-methyl-1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]piperidin-3-amine;molecular hydrogen?
The canonical SMILES for ethane;methane;N-methyl-1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]piperidin-3-amine;molecular hydrogen is C.CC.CNC1CCCN(C[C@@H]2CC=C(C)CC2)C1.[H][H].
What is the InChIKey of ethane;methane;N-methyl-1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]piperidin-3-amine;molecular hydrogen?
The InChIKey is VWAAMTPVOXEQDL-NSFYLPGLSA-N. The full InChI is InChI=1S/C14H26N2.C2H6.CH4.H2/c1-12-5-7-13(8-6-12)10-16-9-3-4-14(11-16)15-2;1-2;;/h5,13-15H,3-4,6-11H2,1-2H3;1-2H3;1H4;1H/t13-,14?;;;/m1.../s1.
What are the key properties of ethane;methane;N-methyl-1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]piperidin-3-amine;molecular hydrogen?
ethane;methane;N-methyl-1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]piperidin-3-amine;molecular hydrogen has a molecular weight of 270.50 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;N-methyl-1-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]piperidin-3-amine;molecular hydrogen is sourced from PubChem (CID 142067930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).