2-amino-N-[(6R)-6-[(2-aminoacetyl)amino]octyl]acetamide

C12H26N4O2 — CID 160835672

IUPAC2-amino-N-[(6R)-6-[(2-aminoacetyl)amino]octyl]acetamide
SMILESCC[C@H](CCCCCNC(=O)CN)NC(=O)CN
InChIInChI=1S/C12H26N4O2/c1-2-10(16-12(18)9-14)6-4-3-5-7-15-11(17)8-13/h10H,2-9,13-14H2,1H3,(H,15,17)(H,16,18)/t10-/m1/s1
InChIKeySQYAXINQPUICTG-SNVBAGLBSA-N
MW258.37 g/mol
LogP-0.52
Rot. Bonds10

About 2-amino-N-[(6R)-6-[(2-aminoacetyl)amino]octyl]acetamide

2-amino-N-[(6R)-6-[(2-aminoacetyl)amino]octyl]acetamide (PubChem CID 160835672) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-amino-N-[(6R)-6-[(2-aminoacetyl)amino]octyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(6R)-6-[(2-aminoacetyl)amino]octyl]acetamide
PubChem CID160835672
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name2-amino-N-[(6R)-6-[(2-aminoacetyl)amino]octyl]acetamide
SMILESCC[C@H](CCCCCNC(=O)CN)NC(=O)CN
InChIInChI=1S/C12H26N4O2/c1-2-10(16-12(18)9-14)6-4-3-5-7-15-11(17)8-13/h10H,2-9,13-14H2,1H3,(H,15,17)(H,16,18)/t10-/m1/s1
InChIKeySQYAXINQPUICTG-SNVBAGLBSA-N
XLogP-0.52
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[8-(methylamino)octyl]acetamide
CID 154671547
10-(carboxyamino)decan-3-ylcarbamic acid
CID 175071012
2-amino-N-[2-(hexan-3-ylamino)-2-oxoethyl]acetamide
CID 62117084
acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide
CID 54606253
N-(5-acetamidoheptyl)acetamide
CID 59001684
N-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide
CID 130333097
2-amino-N-(1-methylsulfanylpentan-3-yl)acetamide
CID 58388308
2-amino-N-[8-(propan-2-ylamino)octyl]acetamide
CID 154670935
N-(6-hydroxyheptyl)propanamide
CID 91284740
N'-octan-3-ylbutanediamide
CID 82041118
2-(methylamino)-N-pentadecan-3-ylacetamide
CID 156639958
(2S)-2-[(2-aminoacetyl)amino]-N,N'-dibutylpentanediamide
CID 177434550

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(6R)-6-[(2-aminoacetyl)amino]octyl]acetamide?
The IUPAC name of 2-amino-N-[(6R)-6-[(2-aminoacetyl)amino]octyl]acetamide (CID 160835672) is 2-amino-N-[(6R)-6-[(2-aminoacetyl)amino]octyl]acetamide.
What is the SMILES notation for 2-amino-N-[(6R)-6-[(2-aminoacetyl)amino]octyl]acetamide?
The canonical SMILES for 2-amino-N-[(6R)-6-[(2-aminoacetyl)amino]octyl]acetamide is CC[C@H](CCCCCNC(=O)CN)NC(=O)CN.
What is the InChIKey of 2-amino-N-[(6R)-6-[(2-aminoacetyl)amino]octyl]acetamide?
The InChIKey is SQYAXINQPUICTG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-2-10(16-12(18)9-14)6-4-3-5-7-15-11(17)8-13/h10H,2-9,13-14H2,1H3,(H,15,17)(H,16,18)/t10-/m1/s1.
What are the key properties of 2-amino-N-[(6R)-6-[(2-aminoacetyl)amino]octyl]acetamide?
2-amino-N-[(6R)-6-[(2-aminoacetyl)amino]octyl]acetamide has a molecular weight of 258.37 g/mol, XLogP of -0.52, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(6R)-6-[(2-aminoacetyl)amino]octyl]acetamide is sourced from PubChem (CID 160835672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).