(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide

C13H27N3O2 — CID 93339966

IUPAC(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-2-3-5-12(14)13(17)15-6-4-7-16-8-10-18-11-9-16/h12H,2-11,14H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyPGOCBXJWOPFOMM-LBPRGKRZSA-N
MW257.38 g/mol
LogP0.34
Rot. Bonds8

About (2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide

(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide (PubChem CID 93339966) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
PubChem CID93339966
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-2-3-5-12(14)13(17)15-6-4-7-16-8-10-18-11-9-16/h12H,2-11,14H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyPGOCBXJWOPFOMM-LBPRGKRZSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
CID 119827262
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
(2S)-2,6-diamino-N-(2-morpholin-4-ylethyl)hexanamide
CID 131845980
2-amino-3-methoxy-N-(3-morpholin-4-ylpropyl)propanamide
CID 81081646
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]hexanamide
CID 54860791
2-amino-N-(2-thiomorpholin-4-ylethyl)hexanamide
CID 113310726
(2S)-2-amino-N-[3-[4-[3-[[(2S)-2-amino-5-(diaminomethylamino)pentanoyl]amino]propyl]piperazin-1-yl]propyl]-5-(diaminomethylamino)pentanamide
CID 126654108
2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide
CID 76925048
hexadecyl N-(3-morpholin-4-ylpropyl)carbamate
CID 18968646
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide (CID 93339966) is (2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide is CCCC[C@H](N)C(=O)NCCCN1CCOCC1.
What is the InChIKey of (2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide?
The InChIKey is PGOCBXJWOPFOMM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-2-3-5-12(14)13(17)15-6-4-7-16-8-10-18-11-9-16/h12H,2-11,14H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide?
(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide has a molecular weight of 257.38 g/mol, XLogP of 0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide is sourced from PubChem (CID 93339966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).