N-methyl-2-[3-(methylamino)propanoylamino]pentanamide;hydrochloride

C10H22ClN3O2 — CID 155820102

IUPACN-methyl-2-[3-(methylamino)propanoylamino]pentanamide;hydrochloride
SMILESCCCC(NC(=O)CCNC)C(=O)NC.Cl
InChIInChI=1S/C10H21N3O2.ClH/c1-4-5-8(10(15)12-3)13-9(14)6-7-11-2;/h8,11H,4-7H2,1-3H3,(H,12,15)(H,13,14);1H
InChIKeyQRIAANADQKKLIO-UHFFFAOYSA-N
MW251.76 g/mol
LogP0.05
Rot. Bonds7

About N-methyl-2-[3-(methylamino)propanoylamino]pentanamide;hydrochloride

N-methyl-2-[3-(methylamino)propanoylamino]pentanamide;hydrochloride (PubChem CID 155820102) has the molecular formula C10H22ClN3O2 and a molecular weight of 251.76 g/mol. Its IUPAC name is N-methyl-2-[3-(methylamino)propanoylamino]pentanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-[3-(methylamino)propanoylamino]pentanamide;hydrochloride
PubChem CID155820102
Molecular FormulaC10H22ClN3O2
Molecular Weight251.76 g/mol
Exact Mass251.14
IUPAC NameN-methyl-2-[3-(methylamino)propanoylamino]pentanamide;hydrochloride
SMILESCCCC(NC(=O)CCNC)C(=O)NC.Cl
InChIInChI=1S/C10H21N3O2.ClH/c1-4-5-8(10(15)12-3)13-9(14)6-7-11-2;/h8,11H,4-7H2,1-3H3,(H,12,15)(H,13,14);1H
InChIKeyQRIAANADQKKLIO-UHFFFAOYSA-N
XLogP0.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-N-octan-4-ylpropanamide
CID 106025922
(2S)-N-methyl-2-(methylamino)pentanamide
CID 143782023
2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide
CID 171621363
(2S)-2-[3-(ethylamino)propanoylamino]pentanoic acid
CID 107565213
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
2-methyl-N-[2-(methylamino)ethyl]pentanamide
CID 62659666
3-[2-[2-[[2-[[6-amino-2-[3-(methylamino)propanoylamino]hexanoyl]amino]-3-hydroxybutanoyl]amino]propanoylamino]pentanoylamino]-2-oxobutanoic acid
CID 123208042
2-(butanoylamino)-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-(methylamino)-1-oxopentan-2-yl]pentanamide
CID 166987114
methyl (2S)-2-[[(4S)-5-[[(2S)-1-[[(2R)-1-methoxy-1-oxopentan-2-yl]amino]-5-[[(2S)-1-methoxy-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-5-oxopentanoyl]amino]pentanoate
CID 59054841
3-(butanoylamino)-2-oxohexanoic acid
CID 57033030
2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane
CID 171511904
(3R)-3-(chloromethyl)-N-[(2S)-1-(methylamino)-1-oxobutan-2-yl]hexanamide
CID 138646659

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(methylamino)propanoylamino]pentanamide;hydrochloride?
The IUPAC name of N-methyl-2-[3-(methylamino)propanoylamino]pentanamide;hydrochloride (CID 155820102) is N-methyl-2-[3-(methylamino)propanoylamino]pentanamide;hydrochloride.
What is the SMILES notation for N-methyl-2-[3-(methylamino)propanoylamino]pentanamide;hydrochloride?
The canonical SMILES for N-methyl-2-[3-(methylamino)propanoylamino]pentanamide;hydrochloride is CCCC(NC(=O)CCNC)C(=O)NC.Cl.
What is the InChIKey of N-methyl-2-[3-(methylamino)propanoylamino]pentanamide;hydrochloride?
The InChIKey is QRIAANADQKKLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2.ClH/c1-4-5-8(10(15)12-3)13-9(14)6-7-11-2;/h8,11H,4-7H2,1-3H3,(H,12,15)(H,13,14);1H.
What are the key properties of N-methyl-2-[3-(methylamino)propanoylamino]pentanamide;hydrochloride?
N-methyl-2-[3-(methylamino)propanoylamino]pentanamide;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(methylamino)propanoylamino]pentanamide;hydrochloride is sourced from PubChem (CID 155820102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).