6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide

C13H29N3O — CID 24697839

IUPAC6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide
SMILESCN(C)CC(C)(C)CNC(=O)CCCCCN
InChIInChI=1S/C13H29N3O/c1-13(2,11-16(3)4)10-15-12(17)8-6-5-7-9-14/h5-11,14H2,1-4H3,(H,15,17)
InChIKeyULTCIGVTEPWOAC-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.21
Rot. Bonds9

About 6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide

6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide (PubChem CID 24697839) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide
PubChem CID24697839
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide
SMILESCN(C)CC(C)(C)CNC(=O)CCCCCN
InChIInChI=1S/C13H29N3O/c1-13(2,11-16(3)4)10-15-12(17)8-6-5-7-9-14/h5-11,14H2,1-4H3,(H,15,17)
InChIKeyULTCIGVTEPWOAC-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.21
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

7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]heptanamide
CID 24701938
5-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pentanamide
CID 106148441
6-amino-N-[2-(dimethylamino)-2-methylpropyl]hexanamide
CID 61249637
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)pentanamide
CID 115360270
6-amino-N-(2-hydroxy-2-methylpropyl)hexanamide
CID 65106883
7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride
CID 119820235
5-amino-N-(4-hydroxy-2,2-dimethylbutyl)pentanamide
CID 106147943
ethyl 4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-oxobutanoate
CID 60707003
N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 59842400
7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide
CID 79550577
5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 79550040
4-(4-chlorophenyl)sulfanyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]butanamide
CID 112792876

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide?
The IUPAC name of 6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide (CID 24697839) is 6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide.
What is the SMILES notation for 6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide?
The canonical SMILES for 6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide is CN(C)CC(C)(C)CNC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide?
The InChIKey is ULTCIGVTEPWOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-13(2,11-16(3)4)10-15-12(17)8-6-5-7-9-14/h5-11,14H2,1-4H3,(H,15,17).
What are the key properties of 6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide?
6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide has a molecular weight of 243.39 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]hexanamide is sourced from PubChem (CID 24697839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).