(2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride

C9H23Cl2N3O — CID 87369953

IUPAC(2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride
SMILESCCC[C@H](NCCN(C)C)C(N)=O.Cl.Cl
InChIInChI=1S/C9H21N3O.2ClH/c1-4-5-8(9(10)13)11-6-7-12(2)3;;/h8,11H,4-7H2,1-3H3,(H2,10,13);2*1H/t8-;;/m0../s1
InChIKeyJLBAGPSCRXATGW-JZGIKJSDSA-N
MW260.21 g/mol
LogP0.64
Rot. Bonds7

About (2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride

(2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride (PubChem CID 87369953) has the molecular formula C9H23Cl2N3O and a molecular weight of 260.21 g/mol. Its IUPAC name is (2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride
PubChem CID87369953
Molecular FormulaC9H23Cl2N3O
Molecular Weight260.21 g/mol
Exact Mass259.12
IUPAC Name(2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride
SMILESCCC[C@H](NCCN(C)C)C(N)=O.Cl.Cl
InChIInChI=1S/C9H21N3O.2ClH/c1-4-5-8(9(10)13)11-6-7-12(2)3;;/h8,11H,4-7H2,1-3H3,(H2,10,13);2*1H/t8-;;/m0../s1
InChIKeyJLBAGPSCRXATGW-JZGIKJSDSA-N
XLogP0.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethylamino]nonanamide
CID 60995912
2-[2-(dimethylamino)ethylamino]-5-methylsulfanylpentanamide
CID 103089201
4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide
CID 63054736
4-(dipropylamino)-2-(propylamino)butanamide
CID 63028004
4-(diethylamino)-2-(propylamino)butanamide
CID 63028178
2-(carbamoylamino)pentanamide;hydrochloride
CID 155195679
methyl 4-(dimethylamino)-2-(propylamino)butanoate
CID 63027229
2-(propylamino)nonanamide
CID 60796532
2-(propylamino)octanamide
CID 60795649
2-(tridecylamino)octanamide
CID 154123950
ethyl 2-[2-(diethylamino)ethylamino]pentanoate
CID 54890434
methyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate
CID 62950242

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride?
The IUPAC name of (2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride (CID 87369953) is (2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride?
The canonical SMILES for (2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride is CCC[C@H](NCCN(C)C)C(N)=O.Cl.Cl.
What is the InChIKey of (2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride?
The InChIKey is JLBAGPSCRXATGW-JZGIKJSDSA-N. The full InChI is InChI=1S/C9H21N3O.2ClH/c1-4-5-8(9(10)13)11-6-7-12(2)3;;/h8,11H,4-7H2,1-3H3,(H2,10,13);2*1H/t8-;;/m0../s1.
What are the key properties of (2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride?
(2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride has a molecular weight of 260.21 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(dimethylamino)ethylamino]pentanamide;dihydrochloride is sourced from PubChem (CID 87369953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).