N-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide

C14H30N2O — CID 114282359

IUPACN-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)NCC(C)(C)CCN)C(C)C
InChIInChI=1S/C14H30N2O/c1-10(2)12(11(3)4)13(17)16-9-14(5,6)7-8-15/h10-12H,7-9,15H2,1-6H3,(H,16,17)
InChIKeyTWDKGYLEDVRGLB-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.41
Rot. Bonds7

About N-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide

N-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide (PubChem CID 114282359) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide
PubChem CID114282359
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)NCC(C)(C)CCN)C(C)C
InChIInChI=1S/C14H30N2O/c1-10(2)12(11(3)4)13(17)16-9-14(5,6)7-8-15/h10-12H,7-9,15H2,1-6H3,(H,16,17)
InChIKeyTWDKGYLEDVRGLB-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2,3-dimethylbutanamide
CID 115365699
propan-2-yl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141226
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbutanamide
CID 106147902
N-(5-amino-2,2-dimethylpentyl)-2-methylpentanamide
CID 106140775
methyl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141188
4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide
CID 80544365
N-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide
CID 106140134
(2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide
CID 114150116
N-(5-hydroxy-2,2-dimethylpentyl)-3-methyl-2-sulfanylbutanamide
CID 106149644
N-(4-amino-2,2-dimethylbutyl)pentanamide
CID 106139700
N-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide
CID 115364703
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115360252

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide (CID 114282359) is N-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide is CC(C)C(C(=O)NCC(C)(C)CCN)C(C)C.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide?
The InChIKey is TWDKGYLEDVRGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-10(2)12(11(3)4)13(17)16-9-14(5,6)7-8-15/h10-12H,7-9,15H2,1-6H3,(H,16,17).
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide?
N-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide has a molecular weight of 242.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 114282359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).