(2S)-2-(2-aminopropylamino)-N-(2-methylpropyl)pentanamide;toluene

C19H35N3O — CID 142987155

IUPAC(2S)-2-(2-aminopropylamino)-N-(2-methylpropyl)pentanamide;toluene
SMILESCCC[C@H](NCC(C)N)C(=O)NCC(C)C.Cc1ccccc1
InChIInChI=1S/C12H27N3O.C7H8/c1-5-6-11(14-8-10(4)13)12(16)15-7-9(2)3;1-7-5-3-2-4-6-7/h9-11,14H,5-8,13H2,1-4H3,(H,15,16);2-6H,1H3/t10?,11-;/m0./s1
InChIKeyKEEINUSQMYRMAJ-GQNCZFCYSA-N
MW321.51 g/mol
LogP2.86
Rot. Bonds8

About (2S)-2-(2-aminopropylamino)-N-(2-methylpropyl)pentanamide;toluene

(2S)-2-(2-aminopropylamino)-N-(2-methylpropyl)pentanamide;toluene (PubChem CID 142987155) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is (2S)-2-(2-aminopropylamino)-N-(2-methylpropyl)pentanamide;toluene.

Molecular Properties

Compound Name(2S)-2-(2-aminopropylamino)-N-(2-methylpropyl)pentanamide;toluene
PubChem CID142987155
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name(2S)-2-(2-aminopropylamino)-N-(2-methylpropyl)pentanamide;toluene
SMILESCCC[C@H](NCC(C)N)C(=O)NCC(C)C.Cc1ccccc1
InChIInChI=1S/C12H27N3O.C7H8/c1-5-6-11(14-8-10(4)13)12(16)15-7-9(2)3;1-7-5-3-2-4-6-7/h9-11,14H,5-8,13H2,1-4H3,(H,15,16);2-6H,1H3/t10?,11-;/m0./s1
InChIKeyKEEINUSQMYRMAJ-GQNCZFCYSA-N
XLogP2.86
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-aminopropylamino)-N-(2-methylpropyl)pentanamide;toluene?
The IUPAC name of (2S)-2-(2-aminopropylamino)-N-(2-methylpropyl)pentanamide;toluene (CID 142987155) is (2S)-2-(2-aminopropylamino)-N-(2-methylpropyl)pentanamide;toluene.
What is the SMILES notation for (2S)-2-(2-aminopropylamino)-N-(2-methylpropyl)pentanamide;toluene?
The canonical SMILES for (2S)-2-(2-aminopropylamino)-N-(2-methylpropyl)pentanamide;toluene is CCC[C@H](NCC(C)N)C(=O)NCC(C)C.Cc1ccccc1.
What is the InChIKey of (2S)-2-(2-aminopropylamino)-N-(2-methylpropyl)pentanamide;toluene?
The InChIKey is KEEINUSQMYRMAJ-GQNCZFCYSA-N. The full InChI is InChI=1S/C12H27N3O.C7H8/c1-5-6-11(14-8-10(4)13)12(16)15-7-9(2)3;1-7-5-3-2-4-6-7/h9-11,14H,5-8,13H2,1-4H3,(H,15,16);2-6H,1H3/t10?,11-;/m0./s1.
What are the key properties of (2S)-2-(2-aminopropylamino)-N-(2-methylpropyl)pentanamide;toluene?
(2S)-2-(2-aminopropylamino)-N-(2-methylpropyl)pentanamide;toluene has a molecular weight of 321.51 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-aminopropylamino)-N-(2-methylpropyl)pentanamide;toluene is sourced from PubChem (CID 142987155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).