N-[4-[3-(ethylamino)propyl-methylamino]butyl]-1-methylcyclopropane-1-carboxamide

C15H31N3O — CID 156819865

IUPACN-[4-[3-(ethylamino)propyl-methylamino]butyl]-1-methylcyclopropane-1-carboxamide
SMILESCCNCCCN(C)CCCCNC(=O)C1(C)CC1
InChIInChI=1S/C15H31N3O/c1-4-16-10-7-13-18(3)12-6-5-11-17-14(19)15(2)8-9-15/h16H,4-13H2,1-3H3,(H,17,19)
InChIKeyIJXGGUBZHWENHE-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.61
Rot. Bonds11

About N-[4-[3-(ethylamino)propyl-methylamino]butyl]-1-methylcyclopropane-1-carboxamide

N-[4-[3-(ethylamino)propyl-methylamino]butyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 156819865) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[4-[3-(ethylamino)propyl-methylamino]butyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(ethylamino)propyl-methylamino]butyl]-1-methylcyclopropane-1-carboxamide
PubChem CID156819865
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-[4-[3-(ethylamino)propyl-methylamino]butyl]-1-methylcyclopropane-1-carboxamide
SMILESCCNCCCN(C)CCCCNC(=O)C1(C)CC1
InChIInChI=1S/C15H31N3O/c1-4-16-10-7-13-18(3)12-6-5-11-17-14(19)15(2)8-9-15/h16H,4-13H2,1-3H3,(H,17,19)
InChIKeyIJXGGUBZHWENHE-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[4-[3-(ethylamino)propyl-methylamino]butyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-[3-(ethylamino)propyl-methylamino]butyl]-1-methylcyclopropane-1-carboxamide (CID 156819865) is N-[4-[3-(ethylamino)propyl-methylamino]butyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[3-(ethylamino)propyl-methylamino]butyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[3-(ethylamino)propyl-methylamino]butyl]-1-methylcyclopropane-1-carboxamide is CCNCCCN(C)CCCCNC(=O)C1(C)CC1.
What is the InChIKey of N-[4-[3-(ethylamino)propyl-methylamino]butyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is IJXGGUBZHWENHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-16-10-7-13-18(3)12-6-5-11-17-14(19)15(2)8-9-15/h16H,4-13H2,1-3H3,(H,17,19).
What are the key properties of N-[4-[3-(ethylamino)propyl-methylamino]butyl]-1-methylcyclopropane-1-carboxamide?
N-[4-[3-(ethylamino)propyl-methylamino]butyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.61, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(ethylamino)propyl-methylamino]butyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 156819865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).