N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide

C13H28N2O — CID 115271093

IUPACN-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide
SMILESCC(C)CCCCC(=O)NCC(C)(C)CN
InChIInChI=1S/C13H28N2O/c1-11(2)7-5-6-8-12(16)15-10-13(3,4)9-14/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyOOLKISYCDXJRMG-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.30
Rot. Bonds8

About N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide

N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide (PubChem CID 115271093) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide
PubChem CID115271093
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide
SMILESCC(C)CCCCC(=O)NCC(C)(C)CN
InChIInChI=1S/C13H28N2O/c1-11(2)7-5-6-8-12(16)15-10-13(3,4)9-14/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyOOLKISYCDXJRMG-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride
CID 119820235
N-(2-aminoethyl)-7-methyloctanamide
CID 145373236
N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide
CID 115365695
bis[4-[(3-amino-2,2-dimethylpropyl)amino]-4-oxobutyl] oxalate
CID 57210877
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)pentanamide
CID 115360270
[5-[(3-amino-2,2-dimethylpropyl)amino]-5-oxopentyl] nitrate
CID 14799036
6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide
CID 65292309
5-chloro-N-(5-methylhexyl)pentanamide
CID 115325090
4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide
CID 115163175
2-(7-methyloctanoylamino)acetic acid
CID 21289225
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
5-amino-N-(4-hydroxy-2,2-dimethylbutyl)pentanamide
CID 106147943

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide (CID 115271093) is N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide is CC(C)CCCCC(=O)NCC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide?
The InChIKey is OOLKISYCDXJRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)7-5-6-8-12(16)15-10-13(3,4)9-14/h11H,5-10,14H2,1-4H3,(H,15,16).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide?
N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide has a molecular weight of 228.38 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide is sourced from PubChem (CID 115271093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).