(2S)-2-amino-N'-[2-(dimethylamino)ethyl]pentanediamide

C9H20N4O2 — CID 58987538

IUPAC(2S)-2-amino-N'-[2-(dimethylamino)ethyl]pentanediamide
SMILESCN(C)CCNC(=O)CC[C@H](N)C(N)=O
InChIInChI=1S/C9H20N4O2/c1-13(2)6-5-12-8(14)4-3-7(10)9(11)15/h7H,3-6,10H2,1-2H3,(H2,11,15)(H,12,14)/t7-/m0/s1
InChIKeyUHLBABPFUVZBMS-ZETCQYMHSA-N
MW216.28 g/mol
LogP-1.74
Rot. Bonds7

About (2S)-2-amino-N'-[2-(dimethylamino)ethyl]pentanediamide

(2S)-2-amino-N'-[2-(dimethylamino)ethyl]pentanediamide (PubChem CID 58987538) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-2-amino-N'-[2-(dimethylamino)ethyl]pentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N'-[2-(dimethylamino)ethyl]pentanediamide
PubChem CID58987538
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name(2S)-2-amino-N'-[2-(dimethylamino)ethyl]pentanediamide
SMILESCN(C)CCNC(=O)CC[C@H](N)C(N)=O
InChIInChI=1S/C9H20N4O2/c1-13(2)6-5-12-8(14)4-3-7(10)9(11)15/h7H,3-6,10H2,1-2H3,(H2,11,15)(H,12,14)/t7-/m0/s1
InChIKeyUHLBABPFUVZBMS-ZETCQYMHSA-N
XLogP-1.74
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N'-[(2S)-2-amino-3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-[2-(dimethylamino)ethyl]pentanediamide;tetrahydrochloride
CID 171378157
(2R)-2-amino-N-[2-(dimethylamino)ethyl]propanamide
CID 40614324
2-amino-5-[3-(dimethylamino)propanoylamino]pentanoic acid
CID 87358436
2-(dimethylamino)ethylurea
CID 16785331
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
(2S)-2-amino-N'-(2-phenylethyl)pentanediamide
CID 58987488
N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 113136060
2-amino-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride
CID 56832115
3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 167166577
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158
10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid
CID 51038800

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N'-[2-(dimethylamino)ethyl]pentanediamide?
The IUPAC name of (2S)-2-amino-N'-[2-(dimethylamino)ethyl]pentanediamide (CID 58987538) is (2S)-2-amino-N'-[2-(dimethylamino)ethyl]pentanediamide.
What is the SMILES notation for (2S)-2-amino-N'-[2-(dimethylamino)ethyl]pentanediamide?
The canonical SMILES for (2S)-2-amino-N'-[2-(dimethylamino)ethyl]pentanediamide is CN(C)CCNC(=O)CC[C@H](N)C(N)=O.
What is the InChIKey of (2S)-2-amino-N'-[2-(dimethylamino)ethyl]pentanediamide?
The InChIKey is UHLBABPFUVZBMS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-13(2)6-5-12-8(14)4-3-7(10)9(11)15/h7H,3-6,10H2,1-2H3,(H2,11,15)(H,12,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N'-[2-(dimethylamino)ethyl]pentanediamide?
(2S)-2-amino-N'-[2-(dimethylamino)ethyl]pentanediamide has a molecular weight of 216.28 g/mol, XLogP of -1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N'-[2-(dimethylamino)ethyl]pentanediamide is sourced from PubChem (CID 58987538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).