ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen

C19H48N4 — CID 142350050

IUPACethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
SMILESCC.CC(C)NC1CCN(C)C1.CC(C)NC1CCN(C)CC1.[H][H].[H][H]
InChIInChI=1S/C9H20N2.C8H18N2.C2H6.2H2/c1-8(2)10-9-4-6-11(3)7-5-9;1-7(2)9-8-4-5-10(3)6-8;1-2;;/h8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;1-2H3;2*1H
InChIKeyKTNNJNKKBLMGBY-UHFFFAOYSA-N
MW332.62 g/mol
LogP3.29
Rot. Bonds4

About ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen

ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen (PubChem CID 142350050) has the molecular formula C19H48N4 and a molecular weight of 332.62 g/mol. Its IUPAC name is ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
PubChem CID142350050
Molecular FormulaC19H48N4
Molecular Weight332.62 g/mol
Exact Mass332.39
IUPAC Nameethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
SMILESCC.CC(C)NC1CCN(C)C1.CC(C)NC1CCN(C)CC1.[H][H].[H][H]
InChIInChI=1S/C9H20N2.C8H18N2.C2H6.2H2/c1-8(2)10-9-4-6-11(3)7-5-9;1-7(2)9-8-4-5-10(3)6-8;1-2;;/h8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;1-2H3;2*1H
InChIKeyKTNNJNKKBLMGBY-UHFFFAOYSA-N
XLogP3.29
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.62
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen?
The IUPAC name of ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen (CID 142350050) is ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen.
What is the SMILES notation for ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen?
The canonical SMILES for ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen is CC.CC(C)NC1CCN(C)C1.CC(C)NC1CCN(C)CC1.[H][H].[H][H].
What is the InChIKey of ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen?
The InChIKey is KTNNJNKKBLMGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C8H18N2.C2H6.2H2/c1-8(2)10-9-4-6-11(3)7-5-9;1-7(2)9-8-4-5-10(3)6-8;1-2;;/h8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;1-2H3;2*1H.
What are the key properties of ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen?
ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen has a molecular weight of 332.62 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-N-propan-2-ylpyrrolidin-3-amine;molecular hydrogen is sourced from PubChem (CID 142350050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).