N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide

C13H28N2O — CID 115272569

IUPACN-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide
SMILESCC(C)CCCC(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C13H28N2O/c1-11(2)7-6-8-12(16)15(5)10-13(3,4)9-14/h11H,6-10,14H2,1-5H3
InChIKeyFNGGZCHXGPTZFT-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.26
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide

N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide (PubChem CID 115272569) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide
PubChem CID115272569
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide
SMILESCC(C)CCCC(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C13H28N2O/c1-11(2)7-6-8-12(16)15(5)10-13(3,4)9-14/h11H,6-10,14H2,1-5H3
InChIKeyFNGGZCHXGPTZFT-UHFFFAOYSA-N
XLogP2.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Aminobutyl)-N-(3-aminopropyl)hexanamide
CID 86127607
Valeramide, N-(3-(diethylamino)propyl)-2-propyl-
CID 200810
Valeramide, N-(3-(dimethylamino)propyl)-2-propyl-
CID 201023
Valeramide, N-(3-(dibutylamino)propyl)-2-propyl-
CID 211199
N,N-diethyl-3-(piperidin-4-yl)propanamide
CID 17803282
[1-(Aminomethyl)cyclopentyl]-(3-ethylpyrrolidin-1-yl)methanone
CID 75495991
N-(3-amino-4-methylpentyl)-N-methylbutanamide
CID 81485295
N,N-dimethyl-1-[(3-methylbutylamino)methyl]cyclopentane-1-carboxamide
CID 99831545
Hexanamide, N-[3-(dimethylamino)propyl]-
CID 4226275
N-(3-aminopropyl)-N-methylcyclobutanecarboxamide
CID 28386837
N,N-diethyl-3,5,5-trimethylhexanamide
CID 88772033
N,N-diethyl-2,2-dimethylhexanamide
CID 121008798

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide (CID 115272569) is N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide is CC(C)CCCC(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide?
The InChIKey is FNGGZCHXGPTZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)7-6-8-12(16)15(5)10-13(3,4)9-14/h11H,6-10,14H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide?
N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide has a molecular weight of 228.38 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide is sourced from PubChem (CID 115272569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).