methane;5-methyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine;1-methylpyrrolidine

C18H38N2 — CID 158401292

IUPACmethane;5-methyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine;1-methylpyrrolidine
SMILESC.CC1CC2CC(NC(C)C)CC2C1.CN1CCCC1
InChIInChI=1S/C12H23N.C5H11N.CH4/c1-8(2)13-12-6-10-4-9(3)5-11(10)7-12;1-6-4-2-3-5-6;/h8-13H,4-7H2,1-3H3;2-5H2,1H3;1H4
InChIKeyGYDAZAHVRRNTHG-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.16
Rot. Bonds2

About methane;5-methyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine;1-methylpyrrolidine

methane;5-methyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine;1-methylpyrrolidine (PubChem CID 158401292) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is methane;5-methyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine;1-methylpyrrolidine.

Molecular Properties

Compound Namemethane;5-methyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine;1-methylpyrrolidine
PubChem CID158401292
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Namemethane;5-methyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine;1-methylpyrrolidine
SMILESC.CC1CC2CC(NC(C)C)CC2C1.CN1CCCC1
InChIInChI=1S/C12H23N.C5H11N.CH4/c1-8(2)13-12-6-10-4-9(3)5-11(10)7-12;1-6-4-2-3-5-6;/h8-13H,4-7H2,1-3H3;2-5H2,1H3;1H4
InChIKeyGYDAZAHVRRNTHG-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;5-methyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine;1-methylpyrrolidine?
The IUPAC name of methane;5-methyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine;1-methylpyrrolidine (CID 158401292) is methane;5-methyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine;1-methylpyrrolidine.
What is the SMILES notation for methane;5-methyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine;1-methylpyrrolidine?
The canonical SMILES for methane;5-methyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine;1-methylpyrrolidine is C.CC1CC2CC(NC(C)C)CC2C1.CN1CCCC1.
What is the InChIKey of methane;5-methyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine;1-methylpyrrolidine?
The InChIKey is GYDAZAHVRRNTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C5H11N.CH4/c1-8(2)13-12-6-10-4-9(3)5-11(10)7-12;1-6-4-2-3-5-6;/h8-13H,4-7H2,1-3H3;2-5H2,1H3;1H4.
What are the key properties of methane;5-methyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine;1-methylpyrrolidine?
methane;5-methyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine;1-methylpyrrolidine has a molecular weight of 282.52 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine;1-methylpyrrolidine is sourced from PubChem (CID 158401292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).