butane;N-[3-(methylamino)propyl]cyclopropanecarboxamide;molecular hydrogen

C12H30N2O — CID 144530461

IUPACbutane;N-[3-(methylamino)propyl]cyclopropanecarboxamide;molecular hydrogen
SMILESCCCC.CNCCCNC(=O)C1CC1.[H][H].[H][H]
InChIInChI=1S/C8H16N2O.C4H10.2H2/c1-9-5-2-6-10-8(11)7-3-4-7;1-3-4-2;;/h7,9H,2-6H2,1H3,(H,10,11);3-4H2,1-2H3;2*1H
InChIKeySQBHSOIYXXVKBU-UHFFFAOYSA-N
MW218.39 g/mol
LogP2.42
Rot. Bonds6

About butane;N-[3-(methylamino)propyl]cyclopropanecarboxamide;molecular hydrogen

butane;N-[3-(methylamino)propyl]cyclopropanecarboxamide;molecular hydrogen (PubChem CID 144530461) has the molecular formula C12H30N2O and a molecular weight of 218.39 g/mol. Its IUPAC name is butane;N-[3-(methylamino)propyl]cyclopropanecarboxamide;molecular hydrogen.

Molecular Properties

Compound Namebutane;N-[3-(methylamino)propyl]cyclopropanecarboxamide;molecular hydrogen
PubChem CID144530461
Molecular FormulaC12H30N2O
Molecular Weight218.39 g/mol
Exact Mass218.24
IUPAC Namebutane;N-[3-(methylamino)propyl]cyclopropanecarboxamide;molecular hydrogen
SMILESCCCC.CNCCCNC(=O)C1CC1.[H][H].[H][H]
InChIInChI=1S/C8H16N2O.C4H10.2H2/c1-9-5-2-6-10-8(11)7-3-4-7;1-3-4-2;;/h7,9H,2-6H2,1H3,(H,10,11);3-4H2,1-2H3;2*1H
InChIKeySQBHSOIYXXVKBU-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
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 butane;N-[3-(methylamino)propyl]cyclopropanecarboxamide;molecular hydrogen?
The IUPAC name of butane;N-[3-(methylamino)propyl]cyclopropanecarboxamide;molecular hydrogen (CID 144530461) is butane;N-[3-(methylamino)propyl]cyclopropanecarboxamide;molecular hydrogen.
What is the SMILES notation for butane;N-[3-(methylamino)propyl]cyclopropanecarboxamide;molecular hydrogen?
The canonical SMILES for butane;N-[3-(methylamino)propyl]cyclopropanecarboxamide;molecular hydrogen is CCCC.CNCCCNC(=O)C1CC1.[H][H].[H][H].
What is the InChIKey of butane;N-[3-(methylamino)propyl]cyclopropanecarboxamide;molecular hydrogen?
The InChIKey is SQBHSOIYXXVKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C4H10.2H2/c1-9-5-2-6-10-8(11)7-3-4-7;1-3-4-2;;/h7,9H,2-6H2,1H3,(H,10,11);3-4H2,1-2H3;2*1H.
What are the key properties of butane;N-[3-(methylamino)propyl]cyclopropanecarboxamide;molecular hydrogen?
butane;N-[3-(methylamino)propyl]cyclopropanecarboxamide;molecular hydrogen has a molecular weight of 218.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-[3-(methylamino)propyl]cyclopropanecarboxamide;molecular hydrogen is sourced from PubChem (CID 144530461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).