N-[3-[3-[3-aminopropyl(ethyl)amino]propyl-ethylamino]propyl]-2-methylbutanamide;ethane

C20H46N4O — CID 142817480

IUPACN-[3-[3-[3-aminopropyl(ethyl)amino]propyl-ethylamino]propyl]-2-methylbutanamide;ethane
SMILESCC.CCC(C)C(=O)NCCCN(CC)CCCN(CC)CCCN
InChIInChI=1S/C18H40N4O.C2H6/c1-5-17(4)18(23)20-12-9-14-22(7-3)16-10-15-21(6-2)13-8-11-19;1-2/h17H,5-16,19H2,1-4H3,(H,20,23);1-2H3
InChIKeyMCRREISQAYOTLY-UHFFFAOYSA-N
MW358.62 g/mol
LogP2.95
Rot. Bonds15

About N-[3-[3-[3-aminopropyl(ethyl)amino]propyl-ethylamino]propyl]-2-methylbutanamide;ethane

N-[3-[3-[3-aminopropyl(ethyl)amino]propyl-ethylamino]propyl]-2-methylbutanamide;ethane (PubChem CID 142817480) has the molecular formula C20H46N4O and a molecular weight of 358.62 g/mol. Its IUPAC name is N-[3-[3-[3-aminopropyl(ethyl)amino]propyl-ethylamino]propyl]-2-methylbutanamide;ethane.

Molecular Properties

Compound NameN-[3-[3-[3-aminopropyl(ethyl)amino]propyl-ethylamino]propyl]-2-methylbutanamide;ethane
PubChem CID142817480
Molecular FormulaC20H46N4O
Molecular Weight358.62 g/mol
Exact Mass358.37
IUPAC NameN-[3-[3-[3-aminopropyl(ethyl)amino]propyl-ethylamino]propyl]-2-methylbutanamide;ethane
SMILESCC.CCC(C)C(=O)NCCCN(CC)CCCN(CC)CCCN
InChIInChI=1S/C18H40N4O.C2H6/c1-5-17(4)18(23)20-12-9-14-22(7-3)16-10-15-21(6-2)13-8-11-19;1-2/h17H,5-16,19H2,1-4H3,(H,20,23);1-2H3
InChIKeyMCRREISQAYOTLY-UHFFFAOYSA-N
XLogP2.95
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.62
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[3-(diethylamino)propyl]butanamide
CID 79025244
N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[3-[3-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]propyl-ethylamino]propyl]amino]propyl]amino]propyl]propane-1,3-diamine
CID 59097400
N-[3-(diethylamino)propyl]-2,2-difluoroacetamide
CID 103600714
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide
CID 168915503
N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide
CID 43316024
2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide
CID 107471013
3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide
CID 81070117
2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol
CID 143093735
N-[2-[ethyl(methyl)amino]ethyl]-2-methylbutanamide
CID 20730110
N'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine
CID 20833349
methyl 2-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoate
CID 5184575

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-aminopropyl(ethyl)amino]propyl-ethylamino]propyl]-2-methylbutanamide;ethane?
The IUPAC name of N-[3-[3-[3-aminopropyl(ethyl)amino]propyl-ethylamino]propyl]-2-methylbutanamide;ethane (CID 142817480) is N-[3-[3-[3-aminopropyl(ethyl)amino]propyl-ethylamino]propyl]-2-methylbutanamide;ethane.
What is the SMILES notation for N-[3-[3-[3-aminopropyl(ethyl)amino]propyl-ethylamino]propyl]-2-methylbutanamide;ethane?
The canonical SMILES for N-[3-[3-[3-aminopropyl(ethyl)amino]propyl-ethylamino]propyl]-2-methylbutanamide;ethane is CC.CCC(C)C(=O)NCCCN(CC)CCCN(CC)CCCN.
What is the InChIKey of N-[3-[3-[3-aminopropyl(ethyl)amino]propyl-ethylamino]propyl]-2-methylbutanamide;ethane?
The InChIKey is MCRREISQAYOTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N4O.C2H6/c1-5-17(4)18(23)20-12-9-14-22(7-3)16-10-15-21(6-2)13-8-11-19;1-2/h17H,5-16,19H2,1-4H3,(H,20,23);1-2H3.
What are the key properties of N-[3-[3-[3-aminopropyl(ethyl)amino]propyl-ethylamino]propyl]-2-methylbutanamide;ethane?
N-[3-[3-[3-aminopropyl(ethyl)amino]propyl-ethylamino]propyl]-2-methylbutanamide;ethane has a molecular weight of 358.62 g/mol, XLogP of 2.95, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-aminopropyl(ethyl)amino]propyl-ethylamino]propyl]-2-methylbutanamide;ethane is sourced from PubChem (CID 142817480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).