(2S)-3-amino-N-hexyl-2-methylpropanamide

C10H22N2O — CID 166872434

IUPAC(2S)-3-amino-N-hexyl-2-methylpropanamide
SMILESCCCCCCNC(=O)[C@@H](C)CN
InChIInChI=1S/C10H22N2O/c1-3-4-5-6-7-12-10(13)9(2)8-11/h9H,3-8,11H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyHGAJXGJBWWHNRH-VIFPVBQESA-N
MW186.30 g/mol
LogP1.28
Rot. Bonds7

About (2S)-3-amino-N-hexyl-2-methylpropanamide

(2S)-3-amino-N-hexyl-2-methylpropanamide (PubChem CID 166872434) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2S)-3-amino-N-hexyl-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-3-amino-N-hexyl-2-methylpropanamide
PubChem CID166872434
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2S)-3-amino-N-hexyl-2-methylpropanamide
SMILESCCCCCCNC(=O)[C@@H](C)CN
InChIInChI=1S/C10H22N2O/c1-3-4-5-6-7-12-10(13)9(2)8-11/h9H,3-8,11H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyHGAJXGJBWWHNRH-VIFPVBQESA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-nonyldecanamide
CID 141429494
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
2,3-diamino-N-octadecylpropanamide
CID 158457421
ethane;4-(heptylamino)-3-methyl-4-oxobutanoic acid
CID 145321345
3-amino-N-(4-hydroxypentyl)-2-methylpropanamide
CID 106134399
(2S,3S)-3-amino-2-hydroxy-N-octylbutanamide
CID 141156692
6-amino-2-methyl-N-pentylheptanamide
CID 65292783
N-[3-amino-1-(hexylamino)-1-oxopropan-2-yl]heptanamide
CID 167356517
2-amino-3-hydroxy-N-octylbutanamide
CID 90110768
(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
CID 11392932
3-amino-N-(2-hydroxyethyl)-2-methylpropanamide
CID 54555473
2-(dimethylamino)-N-octadecylpropanamide
CID 161206779

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-N-hexyl-2-methylpropanamide?
The IUPAC name of (2S)-3-amino-N-hexyl-2-methylpropanamide (CID 166872434) is (2S)-3-amino-N-hexyl-2-methylpropanamide.
What is the SMILES notation for (2S)-3-amino-N-hexyl-2-methylpropanamide?
The canonical SMILES for (2S)-3-amino-N-hexyl-2-methylpropanamide is CCCCCCNC(=O)[C@@H](C)CN.
What is the InChIKey of (2S)-3-amino-N-hexyl-2-methylpropanamide?
The InChIKey is HGAJXGJBWWHNRH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-4-5-6-7-12-10(13)9(2)8-11/h9H,3-8,11H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-3-amino-N-hexyl-2-methylpropanamide?
(2S)-3-amino-N-hexyl-2-methylpropanamide has a molecular weight of 186.30 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-N-hexyl-2-methylpropanamide is sourced from PubChem (CID 166872434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).