3-[(3-amino-3-oxopropyl)-[2-[2-(2-aminopropylamino)propylamino]propyl]amino]propanamide

C15H34N6O2 — CID 54081954

IUPAC3-[(3-amino-3-oxopropyl)-[2-[2-(2-aminopropylamino)propylamino]propyl]amino]propanamide
SMILESCC(N)CNC(C)CNC(C)CN(CCC(N)=O)CCC(N)=O
InChIInChI=1S/C15H34N6O2/c1-11(16)8-19-12(2)9-20-13(3)10-21(6-4-14(17)22)7-5-15(18)23/h11-13,19-20H,4-10,16H2,1-3H3,(H2,17,22)(H2,18,23)
InChIKeyMNTGFFQDEVUZFH-UHFFFAOYSA-N
MW330.48 g/mol
LogP-1.66
Rot. Bonds14

About 3-[(3-amino-3-oxopropyl)-[2-[2-(2-aminopropylamino)propylamino]propyl]amino]propanamide

3-[(3-amino-3-oxopropyl)-[2-[2-(2-aminopropylamino)propylamino]propyl]amino]propanamide (PubChem CID 54081954) has the molecular formula C15H34N6O2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 3-[(3-amino-3-oxopropyl)-[2-[2-(2-aminopropylamino)propylamino]propyl]amino]propanamide.

Molecular Properties

Compound Name3-[(3-amino-3-oxopropyl)-[2-[2-(2-aminopropylamino)propylamino]propyl]amino]propanamide
PubChem CID54081954
Molecular FormulaC15H34N6O2
Molecular Weight330.48 g/mol
Exact Mass330.27
IUPAC Name3-[(3-amino-3-oxopropyl)-[2-[2-(2-aminopropylamino)propylamino]propyl]amino]propanamide
SMILESCC(N)CNC(C)CNC(C)CN(CCC(N)=O)CCC(N)=O
InChIInChI=1S/C15H34N6O2/c1-11(16)8-19-12(2)9-20-13(3)10-21(6-4-14(17)22)7-5-15(18)23/h11-13,19-20H,4-10,16H2,1-3H3,(H2,17,22)(H2,18,23)
InChIKeyMNTGFFQDEVUZFH-UHFFFAOYSA-N
XLogP-1.66
TPSA139.50 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 5-1.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

3-[bis(3-methylbutyl)amino]propanamide
CID 103601317
2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine
CID 14795132
1-N-[1-[bis(octadec-9-enyl)amino]propan-2-yl]propane-1,2-diamine
CID 54128671
3-[(3-amino-3-oxopropyl)-(2-carboxyethyl)amino]propanoic acid
CID 21115401
3-[(3-amino-3-oxopropyl)-methylamino]propanamide;bis(2-methylpropane)
CID 145273853
(2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol
CID 106932045
propanoic acid;1-N-[1-(prop-2-enylamino)propan-2-yl]propane-1,2-diamine
CID 88654756
3-(5-methylhexan-2-ylamino)propanamide
CID 43398450
3-(2-methylpropylamino)butanamide
CID 90751378
hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate
CID 66338779
(2R)-1-[1-(dimethylamino)propan-2-ylamino]propan-2-ol
CID 106932409
3-(propan-2-ylamino)propanamide
CID 18768059

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-3-oxopropyl)-[2-[2-(2-aminopropylamino)propylamino]propyl]amino]propanamide?
The IUPAC name of 3-[(3-amino-3-oxopropyl)-[2-[2-(2-aminopropylamino)propylamino]propyl]amino]propanamide (CID 54081954) is 3-[(3-amino-3-oxopropyl)-[2-[2-(2-aminopropylamino)propylamino]propyl]amino]propanamide.
What is the SMILES notation for 3-[(3-amino-3-oxopropyl)-[2-[2-(2-aminopropylamino)propylamino]propyl]amino]propanamide?
The canonical SMILES for 3-[(3-amino-3-oxopropyl)-[2-[2-(2-aminopropylamino)propylamino]propyl]amino]propanamide is CC(N)CNC(C)CNC(C)CN(CCC(N)=O)CCC(N)=O.
What is the InChIKey of 3-[(3-amino-3-oxopropyl)-[2-[2-(2-aminopropylamino)propylamino]propyl]amino]propanamide?
The InChIKey is MNTGFFQDEVUZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N6O2/c1-11(16)8-19-12(2)9-20-13(3)10-21(6-4-14(17)22)7-5-15(18)23/h11-13,19-20H,4-10,16H2,1-3H3,(H2,17,22)(H2,18,23).
What are the key properties of 3-[(3-amino-3-oxopropyl)-[2-[2-(2-aminopropylamino)propylamino]propyl]amino]propanamide?
3-[(3-amino-3-oxopropyl)-[2-[2-(2-aminopropylamino)propylamino]propyl]amino]propanamide has a molecular weight of 330.48 g/mol, XLogP of -1.66, 14 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-oxopropyl)-[2-[2-(2-aminopropylamino)propylamino]propyl]amino]propanamide is sourced from PubChem (CID 54081954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).