3-(methylamino)-2-(methylaminomethyl)-N-[2-methyl-3-[[3-(methylamino)-2-(methylaminomethyl)propanoyl]amino]propyl]propanamide

C16H36N6O2 — CID 170390778

IUPAC3-(methylamino)-2-(methylaminomethyl)-N-[2-methyl-3-[[3-(methylamino)-2-(methylaminomethyl)propanoyl]amino]propyl]propanamide
SMILESCNCC(CNC)C(=O)NCC(C)CNC(=O)C(CNC)CNC
InChIInChI=1S/C16H36N6O2/c1-12(6-21-15(23)13(8-17-2)9-18-3)7-22-16(24)14(10-19-4)11-20-5/h12-14,17-20H,6-11H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyJYOYWXFIFUFRHI-UHFFFAOYSA-N
MW344.50 g/mol
LogP-2.04
Rot. Bonds14

About 3-(methylamino)-2-(methylaminomethyl)-N-[2-methyl-3-[[3-(methylamino)-2-(methylaminomethyl)propanoyl]amino]propyl]propanamide

3-(methylamino)-2-(methylaminomethyl)-N-[2-methyl-3-[[3-(methylamino)-2-(methylaminomethyl)propanoyl]amino]propyl]propanamide (PubChem CID 170390778) has the molecular formula C16H36N6O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 3-(methylamino)-2-(methylaminomethyl)-N-[2-methyl-3-[[3-(methylamino)-2-(methylaminomethyl)propanoyl]amino]propyl]propanamide.

Molecular Properties

Compound Name3-(methylamino)-2-(methylaminomethyl)-N-[2-methyl-3-[[3-(methylamino)-2-(methylaminomethyl)propanoyl]amino]propyl]propanamide
PubChem CID170390778
Molecular FormulaC16H36N6O2
Molecular Weight344.50 g/mol
Exact Mass344.29
IUPAC Name3-(methylamino)-2-(methylaminomethyl)-N-[2-methyl-3-[[3-(methylamino)-2-(methylaminomethyl)propanoyl]amino]propyl]propanamide
SMILESCNCC(CNC)C(=O)NCC(C)CNC(=O)C(CNC)CNC
InChIInChI=1S/C16H36N6O2/c1-12(6-21-15(23)13(8-17-2)9-18-3)7-22-16(24)14(10-19-4)11-20-5/h12-14,17-20H,6-11H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyJYOYWXFIFUFRHI-UHFFFAOYSA-N
XLogP-2.04
TPSA106.32 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 5-2.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 3-(methylamino)-2-(methylaminomethyl)-N-[2-methyl-3-[[3-(methylamino)-2-(methylaminomethyl)propanoyl]amino]propyl]propanamide with MolForge

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Related Compounds

2-methyl-N-[2-methyl-3-(methylamino)propyl]butanamide
CID 81478398
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
2-(dimethylamino)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 115302668
2-(aminomethyl)-N-(2-methylbutyl)butanamide
CID 62691581
3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide
CID 81479014
3-(hydroxymethyl)-4-(methylamino)butan-2-one
CID 59279741
4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81479378
2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 86813836
N-[2-methyl-3-(methylamino)propyl]pentanamide
CID 81479545
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
N-[(2R)-2-methyl-3-(methylamino)propyl]-2-(3-methylphenyl)acetamide
CID 99646919
5-(2-ethylbutanoylamino)-4-methylpentanoic acid
CID 82010608

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-2-(methylaminomethyl)-N-[2-methyl-3-[[3-(methylamino)-2-(methylaminomethyl)propanoyl]amino]propyl]propanamide?
The IUPAC name of 3-(methylamino)-2-(methylaminomethyl)-N-[2-methyl-3-[[3-(methylamino)-2-(methylaminomethyl)propanoyl]amino]propyl]propanamide (CID 170390778) is 3-(methylamino)-2-(methylaminomethyl)-N-[2-methyl-3-[[3-(methylamino)-2-(methylaminomethyl)propanoyl]amino]propyl]propanamide.
What is the SMILES notation for 3-(methylamino)-2-(methylaminomethyl)-N-[2-methyl-3-[[3-(methylamino)-2-(methylaminomethyl)propanoyl]amino]propyl]propanamide?
The canonical SMILES for 3-(methylamino)-2-(methylaminomethyl)-N-[2-methyl-3-[[3-(methylamino)-2-(methylaminomethyl)propanoyl]amino]propyl]propanamide is CNCC(CNC)C(=O)NCC(C)CNC(=O)C(CNC)CNC.
What is the InChIKey of 3-(methylamino)-2-(methylaminomethyl)-N-[2-methyl-3-[[3-(methylamino)-2-(methylaminomethyl)propanoyl]amino]propyl]propanamide?
The InChIKey is JYOYWXFIFUFRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N6O2/c1-12(6-21-15(23)13(8-17-2)9-18-3)7-22-16(24)14(10-19-4)11-20-5/h12-14,17-20H,6-11H2,1-5H3,(H,21,23)(H,22,24).
What are the key properties of 3-(methylamino)-2-(methylaminomethyl)-N-[2-methyl-3-[[3-(methylamino)-2-(methylaminomethyl)propanoyl]amino]propyl]propanamide?
3-(methylamino)-2-(methylaminomethyl)-N-[2-methyl-3-[[3-(methylamino)-2-(methylaminomethyl)propanoyl]amino]propyl]propanamide has a molecular weight of 344.50 g/mol, XLogP of -2.04, 14 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2-(methylaminomethyl)-N-[2-methyl-3-[[3-(methylamino)-2-(methylaminomethyl)propanoyl]amino]propyl]propanamide is sourced from PubChem (CID 170390778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).