N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide

C13H28N2O — CID 106250638

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide
SMILESCCC(CC)(CN)CNC(=O)CC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-6-13(7-2,9-14)10-15-11(16)8-12(3,4)5/h6-10,14H2,1-5H3,(H,15,16)
InChIKeyCRCBWFDMUPNZGD-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.30
Rot. Bonds6

About N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide

N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide (PubChem CID 106250638) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide
PubChem CID106250638
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide
SMILESCCC(CC)(CN)CNC(=O)CC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-6-13(7-2,9-14)10-15-11(16)8-12(3,4)5/h6-10,14H2,1-5H3,(H,15,16)
InChIKeyCRCBWFDMUPNZGD-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

N-[2-(aminomethyl)-2-ethylbutyl]propanamide
CID 106250084
N-[2-(bromomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide
CID 106254765
N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 114164078
N-[2-(aminomethyl)-2-ethylbutyl]hexanamide
CID 106250199
N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide
CID 114164021
N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide
CID 106250717
N-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide
CID 114164008
propan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate
CID 106250964
N-[2-(aminomethyl)-2-ethylbutyl]-2-(1-methoxycyclobutyl)acetamide
CID 106250600
ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+)
CID 148872040
N-[2-(aminomethyl)-2-ethylbutyl]-2-methyl-2-phenylpropanamide
CID 106250793
2-amino-N-(2,2-diethyl-4-hydroxybutyl)acetamide
CID 119343174

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide (CID 106250638) is N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide is CCC(CC)(CN)CNC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide?
The InChIKey is CRCBWFDMUPNZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-13(7-2,9-14)10-15-11(16)8-12(3,4)5/h6-10,14H2,1-5H3,(H,15,16).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide?
N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide has a molecular weight of 228.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 106250638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).