(2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide

C10H24N4O — CID 59831421

IUPAC(2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide
SMILESCNCCC[C@H](NC)C(=O)NCCNC
InChIInChI=1S/C10H24N4O/c1-11-6-4-5-9(13-3)10(15)14-8-7-12-2/h9,11-13H,4-8H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeyWXKYIDBSHGWGNN-VIFPVBQESA-N
MW216.33 g/mol
LogP-1.09
Rot. Bonds9

About (2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide

(2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide (PubChem CID 59831421) has the molecular formula C10H24N4O and a molecular weight of 216.33 g/mol. Its IUPAC name is (2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide
PubChem CID59831421
Molecular FormulaC10H24N4O
Molecular Weight216.33 g/mol
Exact Mass216.20
IUPAC Name(2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide
SMILESCNCCC[C@H](NC)C(=O)NCCNC
InChIInChI=1S/C10H24N4O/c1-11-6-4-5-9(13-3)10(15)14-8-7-12-2/h9,11-13H,4-8H2,1-3H3,(H,14,15)/t9-/m0/s1
InChIKeyWXKYIDBSHGWGNN-VIFPVBQESA-N
XLogP-1.09
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide
CID 58661389
(2S)-N-[(5S)-6-amino-5-[[(2S)-2,6-bis(methylamino)hexanoyl]amino]-6-oxohexyl]-2,6-bis(methylamino)hexanamide;(2S)-2,6-bis(methylamino)hexanamide
CID 160758777
(2S)-6-[[(2R)-2-amino-5-(methylamino)pentanoyl]amino]-N-[(2S)-2,5-bis(methylamino)pentyl]-2-(methylamino)hexanamide
CID 59839919
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
2-methyl-5-(methylamino)pentanoic acid
CID 59942755
(2S)-N-[(5S)-5-[[(2S)-2,6-bis(methylamino)hexanoyl]amino]-6-[[3-(ethylamino)-3-oxopropyl]amino]-6-oxohexyl]-2,6-bis(methylamino)hexanamide
CID 89221767
3-[2-((113C)methylamino)(5,6-13C2)hexanoylamino]propanoic acid
CID 135251442
6-(methylamino)-2-(2-methylhydrazinyl)-N-(2-oxoethyl)hexanamide
CID 166964502
N,2-dimethyl-6-(methylamino)hexanamide
CID 153084375
2-methyl-N-[2-(methylamino)ethyl]pentanamide
CID 62659666
2-[2,6-bis(methylamino)hexanoylamino]hexanoic acid;ethane
CID 142905874
(2S)-2-(methylamino)-N-[2-(methylamino)ethyl]-3-phenylpropanamide
CID 100959272

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide?
The IUPAC name of (2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide (CID 59831421) is (2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide.
What is the SMILES notation for (2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide?
The canonical SMILES for (2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide is CNCCC[C@H](NC)C(=O)NCCNC.
What is the InChIKey of (2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide?
The InChIKey is WXKYIDBSHGWGNN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H24N4O/c1-11-6-4-5-9(13-3)10(15)14-8-7-12-2/h9,11-13H,4-8H2,1-3H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide?
(2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide has a molecular weight of 216.33 g/mol, XLogP of -1.09, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide is sourced from PubChem (CID 59831421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).