N-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide

C12H26N2O2 — CID 106140134

IUPACN-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide
SMILESCOC(C)CCC(=O)NCC(C)(C)CCN
InChIInChI=1S/C12H26N2O2/c1-10(16-4)5-6-11(15)14-9-12(2,3)7-8-13/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyIHCYQSIXVVUXQS-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.29
Rot. Bonds8

About N-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide

N-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide (PubChem CID 106140134) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide
PubChem CID106140134
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide
SMILESCOC(C)CCC(=O)NCC(C)(C)CCN
InChIInChI=1S/C12H26N2O2/c1-10(16-4)5-6-11(15)14-9-12(2,3)7-8-13/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyIHCYQSIXVVUXQS-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide
CID 106250717
N-(4-amino-2,2-dimethylbutyl)pentanamide
CID 106139700
methyl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141188
N-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide
CID 106140831
propan-2-yl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141226
N-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide
CID 114282359
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148312
N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide
CID 115271093
5-amino-N-(4-hydroxy-2,2-dimethylbutyl)pentanamide
CID 106147943
6-amino-4-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)hexanamide
CID 106254569
N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide
CID 106139517
4-amino-N-(2-methoxypropyl)butanamide
CID 102694810

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide (CID 106140134) is N-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide is COC(C)CCC(=O)NCC(C)(C)CCN.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide?
The InChIKey is IHCYQSIXVVUXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(16-4)5-6-11(15)14-9-12(2,3)7-8-13/h10H,5-9,13H2,1-4H3,(H,14,15).
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide?
N-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide has a molecular weight of 230.35 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide is sourced from PubChem (CID 106140134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).