N-(5-amino-2,2,5-trimethylhexan-3-yl)-N,3,3-trimethylpentanamide

C17H36N2O — CID 123903893

IUPACN-(5-amino-2,2,5-trimethylhexan-3-yl)-N,3,3-trimethylpentanamide
SMILESCCC(C)(C)CC(=O)N(C)C(CC(C)(C)N)C(C)(C)C
InChIInChI=1S/C17H36N2O/c1-10-16(5,6)12-14(20)19(9)13(15(2,3)4)11-17(7,8)18/h13H,10-12,18H2,1-9H3
InChIKeyRSMUVXQNHZOZGW-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.81
Rot. Bonds6

About N-(5-amino-2,2,5-trimethylhexan-3-yl)-N,3,3-trimethylpentanamide

N-(5-amino-2,2,5-trimethylhexan-3-yl)-N,3,3-trimethylpentanamide (PubChem CID 123903893) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-(5-amino-2,2,5-trimethylhexan-3-yl)-N,3,3-trimethylpentanamide.

Molecular Properties

Compound NameN-(5-amino-2,2,5-trimethylhexan-3-yl)-N,3,3-trimethylpentanamide
PubChem CID123903893
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-(5-amino-2,2,5-trimethylhexan-3-yl)-N,3,3-trimethylpentanamide
SMILESCCC(C)(C)CC(=O)N(C)C(CC(C)(C)N)C(C)(C)C
InChIInChI=1S/C17H36N2O/c1-10-16(5,6)12-14(20)19(9)13(15(2,3)4)11-17(7,8)18/h13H,10-12,18H2,1-9H3
InChIKeyRSMUVXQNHZOZGW-UHFFFAOYSA-N
XLogP3.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,3,3-tetramethylpentanamide
CID 23394541
N-methoxy-N,3,3-trimethylpentanamide
CID 129061137
2-[(3-amino-3-methylbutanoyl)-methylamino]butanoic acid
CID 64678637
N-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide
CID 130272423
3,3-dimethyl-5-[methyl(3-methylbutan-2-yl)amino]-5-oxopentanoic acid
CID 62933867
N-(5-amino-5-methylhexan-3-yl)-N-methylprop-2-enamide;hydrochloride
CID 173423557
(2R)-2-amino-5,5-dimethyl-1-sulfanylheptan-3-one
CID 89002752
N-ethyl-N-formyl-3,3-dimethylpentanamide
CID 89228630
ethane;N-ethyl-N-formyl-3,3-dimethylpentanamide
CID 145483087
2-amino-N-butan-2-yl-N,2-dimethylbutanamide
CID 79797343
(2S)-2,4-diamino-4-methylpentanoic acid
CID 54315966
2-(2,2-dimethylbutylamino)-N-methyl-N-propan-2-ylacetamide
CID 103461330

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,2,5-trimethylhexan-3-yl)-N,3,3-trimethylpentanamide?
The IUPAC name of N-(5-amino-2,2,5-trimethylhexan-3-yl)-N,3,3-trimethylpentanamide (CID 123903893) is N-(5-amino-2,2,5-trimethylhexan-3-yl)-N,3,3-trimethylpentanamide.
What is the SMILES notation for N-(5-amino-2,2,5-trimethylhexan-3-yl)-N,3,3-trimethylpentanamide?
The canonical SMILES for N-(5-amino-2,2,5-trimethylhexan-3-yl)-N,3,3-trimethylpentanamide is CCC(C)(C)CC(=O)N(C)C(CC(C)(C)N)C(C)(C)C.
What is the InChIKey of N-(5-amino-2,2,5-trimethylhexan-3-yl)-N,3,3-trimethylpentanamide?
The InChIKey is RSMUVXQNHZOZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-10-16(5,6)12-14(20)19(9)13(15(2,3)4)11-17(7,8)18/h13H,10-12,18H2,1-9H3.
What are the key properties of N-(5-amino-2,2,5-trimethylhexan-3-yl)-N,3,3-trimethylpentanamide?
N-(5-amino-2,2,5-trimethylhexan-3-yl)-N,3,3-trimethylpentanamide has a molecular weight of 284.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2,5-trimethylhexan-3-yl)-N,3,3-trimethylpentanamide is sourced from PubChem (CID 123903893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).