6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide

C15H25N3O — CID 114700367

IUPAC6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
SMILESCc1cnccc1CNC(=O)CCC(C)(C)CCN
InChIInChI=1S/C15H25N3O/c1-12-10-17-9-5-13(12)11-18-14(19)4-6-15(2,3)7-8-16/h5,9-10H,4,6-8,11,16H2,1-3H3,(H,18,19)
InChIKeySJSYYXOZTDZXQZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.16
Rot. Bonds7

About 6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide

6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide (PubChem CID 114700367) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide.

Molecular Properties

Compound Name6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
PubChem CID114700367
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
SMILESCc1cnccc1CNC(=O)CCC(C)(C)CCN
InChIInChI=1S/C15H25N3O/c1-12-10-17-9-5-13(12)11-18-14(19)4-6-15(2,3)7-8-16/h5,9-10H,4,6-8,11,16H2,1-3H3,(H,18,19)
InChIKeySJSYYXOZTDZXQZ-UHFFFAOYSA-N
XLogP2.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700223
5-amino-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114700344
6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700307
4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114701979
2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114698239
2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 107472817
3-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700230
3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700340
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
3-amino-3-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]propanamide
CID 114700236
ethyl 3,3-dimethyl-2-[(3-methyl-4-pyridinyl)methylcarbamoyl]butanoate
CID 114701619
2,2-dimethyl-4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 114700737

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide?
The IUPAC name of 6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide (CID 114700367) is 6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide.
What is the SMILES notation for 6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide?
The canonical SMILES for 6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide is Cc1cnccc1CNC(=O)CCC(C)(C)CCN.
What is the InChIKey of 6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide?
The InChIKey is SJSYYXOZTDZXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-10-17-9-5-13(12)11-18-14(19)4-6-15(2,3)7-8-16/h5,9-10H,4,6-8,11,16H2,1-3H3,(H,18,19).
What are the key properties of 6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide?
6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide has a molecular weight of 263.38 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide is sourced from PubChem (CID 114700367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).