6-amino-2-(butan-2-ylamino)hexanamide

C10H23N3O — CID 129101574

IUPAC6-amino-2-(butan-2-ylamino)hexanamide
SMILESCCC(C)NC(CCCCN)C(N)=O
InChIInChI=1S/C10H23N3O/c1-3-8(2)13-9(10(12)14)6-4-5-7-11/h8-9,13H,3-7,11H2,1-2H3,(H2,12,14)
InChIKeyXOBGSUNLSVXMHW-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.36
Rot. Bonds8

About 6-amino-2-(butan-2-ylamino)hexanamide

6-amino-2-(butan-2-ylamino)hexanamide (PubChem CID 129101574) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 6-amino-2-(butan-2-ylamino)hexanamide.

Molecular Properties

Compound Name6-amino-2-(butan-2-ylamino)hexanamide
PubChem CID129101574
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name6-amino-2-(butan-2-ylamino)hexanamide
SMILESCCC(C)NC(CCCCN)C(N)=O
InChIInChI=1S/C10H23N3O/c1-3-8(2)13-9(10(12)14)6-4-5-7-11/h8-9,13H,3-7,11H2,1-2H3,(H2,12,14)
InChIKeyXOBGSUNLSVXMHW-UHFFFAOYSA-N
XLogP0.36
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-5-amino-4-(butan-2-ylamino)-5-oxopentanoic acid
CID 87360410
(2S)-6-amino-2-(ethylamino)hexanamide
CID 90248692
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
6-amino-2-(tert-butylamino)hexanamide
CID 138534378
(2S)-2-acetamido-6-aminohexanamide
CID 7021885
2-acetamido-6-aminohexanamide;hydrochloride
CID 74765100
5-amino-N-butan-2-yl-2-methylpentanamide
CID 112515136
methyl 2-(butan-2-ylamino)octanoate
CID 61024003
6-amino-2-methylhexanoic acid;2-methylhexanoic acid
CID 157205316
ethyl 4-amino-3-(butan-2-ylamino)-4-oxobutanoate
CID 66432765
2-(butan-2-ylamino)-N',N'-dimethylbutanediamide
CID 66431267
2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 66431515

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(butan-2-ylamino)hexanamide?
The IUPAC name of 6-amino-2-(butan-2-ylamino)hexanamide (CID 129101574) is 6-amino-2-(butan-2-ylamino)hexanamide.
What is the SMILES notation for 6-amino-2-(butan-2-ylamino)hexanamide?
The canonical SMILES for 6-amino-2-(butan-2-ylamino)hexanamide is CCC(C)NC(CCCCN)C(N)=O.
What is the InChIKey of 6-amino-2-(butan-2-ylamino)hexanamide?
The InChIKey is XOBGSUNLSVXMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-3-8(2)13-9(10(12)14)6-4-5-7-11/h8-9,13H,3-7,11H2,1-2H3,(H2,12,14).
What are the key properties of 6-amino-2-(butan-2-ylamino)hexanamide?
6-amino-2-(butan-2-ylamino)hexanamide has a molecular weight of 201.31 g/mol, XLogP of 0.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(butan-2-ylamino)hexanamide is sourced from PubChem (CID 129101574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).