6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide

C14H31N3O — CID 65291456

IUPAC6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide
SMILESCN(C)CCCCNC(=O)CCC(C)(C)CCN
InChIInChI=1S/C14H31N3O/c1-14(2,9-10-15)8-7-13(18)16-11-5-6-12-17(3)4/h5-12,15H2,1-4H3,(H,16,18)
InChIKeyHOGYSZRFCZSFKK-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.60
Rot. Bonds10

About 6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide

6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide (PubChem CID 65291456) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide
PubChem CID65291456
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide
SMILESCN(C)CCCCNC(=O)CCC(C)(C)CCN
InChIInChI=1S/C14H31N3O/c1-14(2,9-10-15)8-7-13(18)16-11-5-6-12-17(3)4/h5-12,15H2,1-4H3,(H,16,18)
InChIKeyHOGYSZRFCZSFKK-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide
CID 107842588
6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide
CID 65292309
6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide
CID 106213131
6-amino-4,4-dimethyl-N-(3,3,3-trifluoropropyl)hexanamide
CID 65291671
6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide
CID 79401305
6-amino-N-but-3-ynyl-4,4-dimethylhexanamide
CID 65291291
6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide
CID 65290908
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
N-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide
CID 62836694
5-bromo-N-[4-(dimethylamino)butyl]pentanamide
CID 107909932
N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158
2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid
CID 65291863

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide (CID 65291456) is 6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide is CN(C)CCCCNC(=O)CCC(C)(C)CCN.
What is the InChIKey of 6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide?
The InChIKey is HOGYSZRFCZSFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-14(2,9-10-15)8-7-13(18)16-11-5-6-12-17(3)4/h5-12,15H2,1-4H3,(H,16,18).
What are the key properties of 6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide?
6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide has a molecular weight of 257.42 g/mol, XLogP of 1.60, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide is sourced from PubChem (CID 65291456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).