3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide

C10H22N4O2 — CID 155228791

IUPAC3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCCC(=O)NCN
InChIInChI=1S/C10H22N4O2/c1-2-5-13-9(15)3-6-12-7-4-10(16)14-8-11/h12H,2-8,11H2,1H3,(H,13,15)(H,14,16)
InChIKeyXDGQRADCPRHAHZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP-1.09
Rot. Bonds9

About 3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide

3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide (PubChem CID 155228791) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide
PubChem CID155228791
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCCC(=O)NCN
InChIInChI=1S/C10H22N4O2/c1-2-5-13-9(15)3-6-12-7-4-10(16)14-8-11/h12H,2-8,11H2,1H3,(H,13,15)(H,14,16)
InChIKeyXDGQRADCPRHAHZ-UHFFFAOYSA-N
XLogP-1.09
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(6-hydroxyhexylamino)-N-propylpropanamide
CID 107703341
3-(but-3-ynylamino)-N-propylpropanamide
CID 63656268
3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626
3-(4-methylpentylamino)-N-propylpropanamide
CID 83156372
N'-(3-aminopropyl)-N-propylbutanediamide
CID 119407981
3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide
CID 58040564
3-(hexylamino)-N-tetradecylpropanamide
CID 58105395
3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide
CID 106723535
N,N'-dipropyldecanediamide
CID 102239298
N-(3-methoxypropyl)-3-(propylamino)propanamide
CID 109011484
2,2-dimethyl-3-[[3-oxo-3-(propylamino)propyl]amino]propanoic acid
CID 79624064
3-bromo-N-propylpropanamide
CID 12680973

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide?
The IUPAC name of 3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide (CID 155228791) is 3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide is CCCNC(=O)CCNCCC(=O)NCN.
What is the InChIKey of 3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide?
The InChIKey is XDGQRADCPRHAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-2-5-13-9(15)3-6-12-7-4-10(16)14-8-11/h12H,2-8,11H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide?
3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide has a molecular weight of 230.31 g/mol, XLogP of -1.09, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide is sourced from PubChem (CID 155228791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).