(2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide

C14H26N2O — CID 113304830

IUPAC(2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NCC(C1CC1)C1CC1
InChIInChI=1S/C14H26N2O/c1-2-3-4-13(15)14(17)16-9-12(10-5-6-10)11-7-8-11/h10-13H,2-9,15H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyXTZLLFWRKCARNC-ZDUSSCGKSA-N
MW238.37 g/mol
LogP2.06
Rot. Bonds8

About (2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide

(2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide (PubChem CID 113304830) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide
PubChem CID113304830
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NCC(C1CC1)C1CC1
InChIInChI=1S/C14H26N2O/c1-2-3-4-13(15)14(17)16-9-12(10-5-6-10)11-7-8-11/h10-13H,2-9,15H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyXTZLLFWRKCARNC-ZDUSSCGKSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-hydroxypropyl)hexanamide
CID 103950098
(2S)-2-amino-N-(2-cyclopropylethyl)hexanamide
CID 103831775
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
(2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide
CID 103950758
2-amino-N-[2-(dimethylamino)propyl]hexanamide
CID 61043686
(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide
CID 107296121
(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide
CID 107145862
2-amino-N-hexylhexanamide
CID 60852762
2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]pentanamide
CID 119859192
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide (CID 113304830) is (2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide is CCCC[C@H](N)C(=O)NCC(C1CC1)C1CC1.
What is the InChIKey of (2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide?
The InChIKey is XTZLLFWRKCARNC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-3-4-13(15)14(17)16-9-12(10-5-6-10)11-7-8-11/h10-13H,2-9,15H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide?
(2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide has a molecular weight of 238.37 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide is sourced from PubChem (CID 113304830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).