(2S)-N'-(2-iminoethyl)-N-methyl-2-(methylamino)pentanediamide

C9H18N4O2 — CID 143368836

IUPAC(2S)-N'-(2-iminoethyl)-N-methyl-2-(methylamino)pentanediamide
SMILES[H]/N=C/CNC(=O)CC[C@H](NC)C(=O)NC
InChIInChI=1S/C9H18N4O2/c1-11-7(9(15)12-2)3-4-8(14)13-6-5-10/h5,7,10-11H,3-4,6H2,1-2H3,(H,12,15)(H,13,14)/b10-5+/t7-/m0/s1
InChIKeyMORILQCYWYRRDP-OYSUNCFMSA-N
MW214.27 g/mol
LogP-1.13
Rot. Bonds7

About (2S)-N'-(2-iminoethyl)-N-methyl-2-(methylamino)pentanediamide

(2S)-N'-(2-iminoethyl)-N-methyl-2-(methylamino)pentanediamide (PubChem CID 143368836) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is (2S)-N'-(2-iminoethyl)-N-methyl-2-(methylamino)pentanediamide.

Molecular Properties

Compound Name(2S)-N'-(2-iminoethyl)-N-methyl-2-(methylamino)pentanediamide
PubChem CID143368836
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name(2S)-N'-(2-iminoethyl)-N-methyl-2-(methylamino)pentanediamide
SMILES[H]/N=C/CNC(=O)CC[C@H](NC)C(=O)NC
InChIInChI=1S/C9H18N4O2/c1-11-7(9(15)12-2)3-4-8(14)13-6-5-10/h5,7,10-11H,3-4,6H2,1-2H3,(H,12,15)(H,13,14)/b10-5+/t7-/m0/s1
InChIKeyMORILQCYWYRRDP-OYSUNCFMSA-N
XLogP-1.13
TPSA94.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-methyl-2-(methylamino)pentanamide
CID 143782023
4-hydroxy-N-methyl-2-(methylamino)butanamide
CID 15486716
4-methyl-5-(methylamino)-5-oxopentanoyl fluoride
CID 20695613
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
3-[2-(2-aminoethoxy)ethoxy]-N-(2-oxoethyl)propanamide;2-methylpropane;propan-2-yl (2S)-6-imino-2-(methylamino)-5-oxohexanoate
CID 166076203
(2S)-2-acetamido-N-methyl-N'-[(2Z)-2-[4-(pentanoylamino)butoxyimino]ethyl]pentanediamide
CID 91134427
(2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide
CID 88724377
7-acetamido-N-methyl-2-(methylamino)heptanamide
CID 129308900
(2S)-N-(2-fluoroethyl)-4-imino-2-methylbutanamide
CID 174601107
16-[[4-[2-[2-[3-[2-[2-[3-[[5,6-bis(methylamino)-6-oxohexyl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-16-oxohexadecanoic acid
CID 145385664
N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide
CID 176836986
N-[6-(heptylamino)-5-(methylamino)-6-oxohexyl]hexadecanamide
CID 162524665

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-(2-iminoethyl)-N-methyl-2-(methylamino)pentanediamide?
The IUPAC name of (2S)-N'-(2-iminoethyl)-N-methyl-2-(methylamino)pentanediamide (CID 143368836) is (2S)-N'-(2-iminoethyl)-N-methyl-2-(methylamino)pentanediamide.
What is the SMILES notation for (2S)-N'-(2-iminoethyl)-N-methyl-2-(methylamino)pentanediamide?
The canonical SMILES for (2S)-N'-(2-iminoethyl)-N-methyl-2-(methylamino)pentanediamide is [H]/N=C/CNC(=O)CC[C@H](NC)C(=O)NC.
What is the InChIKey of (2S)-N'-(2-iminoethyl)-N-methyl-2-(methylamino)pentanediamide?
The InChIKey is MORILQCYWYRRDP-OYSUNCFMSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-11-7(9(15)12-2)3-4-8(14)13-6-5-10/h5,7,10-11H,3-4,6H2,1-2H3,(H,12,15)(H,13,14)/b10-5+/t7-/m0/s1.
What are the key properties of (2S)-N'-(2-iminoethyl)-N-methyl-2-(methylamino)pentanediamide?
(2S)-N'-(2-iminoethyl)-N-methyl-2-(methylamino)pentanediamide has a molecular weight of 214.27 g/mol, XLogP of -1.13, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-(2-iminoethyl)-N-methyl-2-(methylamino)pentanediamide is sourced from PubChem (CID 143368836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).