3-amino-2-(deuterioamino)-N-ethylpropanamide;2-(3-aminopropylamino)-4-(butylamino)-N-ethylbutanamide

C18H43N7O2 — CID 159694374

IUPAC3-amino-2-(deuterioamino)-N-ethylpropanamide;2-(3-aminopropylamino)-4-(butylamino)-N-ethylbutanamide
SMILESCCCCNCCC(NCCCN)C(=O)NCC.[2H]NC(CN)C(=O)NCC
InChIInChI=1S/C13H30N4O.C5H13N3O/c1-3-5-9-15-11-7-12(13(18)16-4-2)17-10-6-8-14;1-2-8-5(9)4(7)3-6/h12,15,17H,3-11,14H2,1-2H3,(H,16,18);4H,2-3,6-7H2,1H3,(H,8,9)/i/hD
InChIKeyMWVAMUFNXMWXEK-DYCDLGHISA-N
MW390.60 g/mol
LogP-1.38
Rot. Bonds16

About 3-amino-2-(deuterioamino)-N-ethylpropanamide;2-(3-aminopropylamino)-4-(butylamino)-N-ethylbutanamide

3-amino-2-(deuterioamino)-N-ethylpropanamide;2-(3-aminopropylamino)-4-(butylamino)-N-ethylbutanamide (PubChem CID 159694374) has the molecular formula C18H43N7O2 and a molecular weight of 390.60 g/mol. Its IUPAC name is 3-amino-2-(deuterioamino)-N-ethylpropanamide;2-(3-aminopropylamino)-4-(butylamino)-N-ethylbutanamide.

Molecular Properties

Compound Name3-amino-2-(deuterioamino)-N-ethylpropanamide;2-(3-aminopropylamino)-4-(butylamino)-N-ethylbutanamide
PubChem CID159694374
Molecular FormulaC18H43N7O2
Molecular Weight390.60 g/mol
Exact Mass390.35
IUPAC Name3-amino-2-(deuterioamino)-N-ethylpropanamide;2-(3-aminopropylamino)-4-(butylamino)-N-ethylbutanamide
SMILESCCCCNCCC(NCCCN)C(=O)NCC.[2H]NC(CN)C(=O)NCC
InChIInChI=1S/C13H30N4O.C5H13N3O/c1-3-5-9-15-11-7-12(13(18)16-4-2)17-10-6-8-14;1-2-8-5(9)4(7)3-6/h12,15,17H,3-11,14H2,1-2H3,(H,16,18);4H,2-3,6-7H2,1H3,(H,8,9)/i/hD
InChIKeyMWVAMUFNXMWXEK-DYCDLGHISA-N
XLogP-1.38
TPSA160.32 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.60
LogP ≤ 5-1.38
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(butylamino)hexanamide
CID 23400711
2,5-bis(3-aminopropylamino)-N-(2-ethylsulfanylethyl)pentanamide
CID 88877319
1,4,9,12-tetrakis(3-aminopropylamino)dodecane-5,8-dione
CID 169489086
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(octadecylamino)hexanamide
CID 11621214
5-(3-aminopropylamino)-N-[3-[2-[3-[2,5-bis(3-aminopropylamino)pentanoylamino]propyl-[(Z)-octadec-9-enyl]amino]ethyl-[(Z)-octadec-9-enyl]amino]propyl]-2-(butylamino)pentanamide
CID 90939214
N-[2-(2-amino-2-oxoethyl)sulfanylethyl]-2,5-bis(3-aminopropylamino)pentanamide
CID 88877300
(5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one
CID 58260284
3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate
CID 89258604
3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid
CID 89258603
N-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide
CID 121336815
N-(3-aminopropyl)-2-(hydroxyamino)heptanamide
CID 142081006
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(deuterioamino)-N-ethylpropanamide;2-(3-aminopropylamino)-4-(butylamino)-N-ethylbutanamide?
The IUPAC name of 3-amino-2-(deuterioamino)-N-ethylpropanamide;2-(3-aminopropylamino)-4-(butylamino)-N-ethylbutanamide (CID 159694374) is 3-amino-2-(deuterioamino)-N-ethylpropanamide;2-(3-aminopropylamino)-4-(butylamino)-N-ethylbutanamide.
What is the SMILES notation for 3-amino-2-(deuterioamino)-N-ethylpropanamide;2-(3-aminopropylamino)-4-(butylamino)-N-ethylbutanamide?
The canonical SMILES for 3-amino-2-(deuterioamino)-N-ethylpropanamide;2-(3-aminopropylamino)-4-(butylamino)-N-ethylbutanamide is CCCCNCCC(NCCCN)C(=O)NCC.[2H]NC(CN)C(=O)NCC.
What is the InChIKey of 3-amino-2-(deuterioamino)-N-ethylpropanamide;2-(3-aminopropylamino)-4-(butylamino)-N-ethylbutanamide?
The InChIKey is MWVAMUFNXMWXEK-DYCDLGHISA-N. The full InChI is InChI=1S/C13H30N4O.C5H13N3O/c1-3-5-9-15-11-7-12(13(18)16-4-2)17-10-6-8-14;1-2-8-5(9)4(7)3-6/h12,15,17H,3-11,14H2,1-2H3,(H,16,18);4H,2-3,6-7H2,1H3,(H,8,9)/i/hD.
What are the key properties of 3-amino-2-(deuterioamino)-N-ethylpropanamide;2-(3-aminopropylamino)-4-(butylamino)-N-ethylbutanamide?
3-amino-2-(deuterioamino)-N-ethylpropanamide;2-(3-aminopropylamino)-4-(butylamino)-N-ethylbutanamide has a molecular weight of 390.60 g/mol, XLogP of -1.38, 16 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(deuterioamino)-N-ethylpropanamide;2-(3-aminopropylamino)-4-(butylamino)-N-ethylbutanamide is sourced from PubChem (CID 159694374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).