(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide

C13H29N3O — CID 103832053

IUPAC(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCCN(C)C(C)CC
InChIInChI=1S/C13H29N3O/c1-5-7-8-12(14)13(17)15-9-10-16(4)11(3)6-2/h11-12H,5-10,14H2,1-4H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyZGAXGIOKAZGFNJ-KIYNQFGBSA-N
MW243.39 g/mol
LogP1.35
Rot. Bonds9

About (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide

(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide (PubChem CID 103832053) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide
PubChem CID103832053
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCCN(C)C(C)CC
InChIInChI=1S/C13H29N3O/c1-5-7-8-12(14)13(17)15-9-10-16(4)11(3)6-2/h11-12H,5-10,14H2,1-4H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyZGAXGIOKAZGFNJ-KIYNQFGBSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide
CID 103814253
(2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide
CID 103831986
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
2-amino-N-[2-(dimethylamino)propyl]hexanamide
CID 61043686
2-amino-N-hexylhexanamide
CID 60852762
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
(2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 103831929
(2S)-2-amino-N-[4-(propan-2-ylamino)butyl]hexanamide
CID 167615708
(2S)-2-amino-N-(2-hydroxypropyl)hexanamide
CID 103950098
2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide
CID 107269526
2-amino-N-[2-[2-(2-aminododecanoylamino)ethyl-(2-aminoethyl)amino]ethyl]dodecanamide
CID 146653798

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide (CID 103832053) is (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide is CCCC[C@H](N)C(=O)NCCN(C)C(C)CC.
What is the InChIKey of (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide?
The InChIKey is ZGAXGIOKAZGFNJ-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-7-8-12(14)13(17)15-9-10-16(4)11(3)6-2/h11-12H,5-10,14H2,1-4H3,(H,15,17)/t11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide?
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide has a molecular weight of 243.39 g/mol, XLogP of 1.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide is sourced from PubChem (CID 103832053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).