N-(2-aminoethyl)-3,3-dimethyl-2-methylidenebutanamide

C9H18N2O — CID 90944111

IUPACN-(2-aminoethyl)-3,3-dimethyl-2-methylidenebutanamide
SMILESC=C(C(=O)NCCN)C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-7(9(2,3)4)8(12)11-6-5-10/h1,5-6,10H2,2-4H3,(H,11,12)
InChIKeyQQLKHBJEQLUOIS-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.66
Rot. Bonds3

About N-(2-aminoethyl)-3,3-dimethyl-2-methylidenebutanamide

N-(2-aminoethyl)-3,3-dimethyl-2-methylidenebutanamide (PubChem CID 90944111) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,3-dimethyl-2-methylidenebutanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,3-dimethyl-2-methylidenebutanamide
PubChem CID90944111
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(2-aminoethyl)-3,3-dimethyl-2-methylidenebutanamide
SMILESC=C(C(=O)NCCN)C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-7(9(2,3)4)8(12)11-6-5-10/h1,5-6,10H2,2-4H3,(H,11,12)
InChIKeyQQLKHBJEQLUOIS-UHFFFAOYSA-N
XLogP0.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide
CID 162373354
N-(2-aminoethyl)-2-methylidenebutanamide
CID 87507056
N-(2-aminoethyl)-2,2-dimethylpropanamide;hydrochloride
CID 47002886
3,3-dimethyl-2-methylidene-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 175190936
1-N,1-N,1-N-tris(2-aminoethyl)ethane-1,1,1-tricarboxamide
CID 15388023
N-(2-aminoethyl)-N'-(2,2-dimethylbutyl)oxamide
CID 103460009
N'-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine
CID 90261773
N-[3-(2-aminoethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 119382533
3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
CID 65270025
N-(2-aminoethyl)-2-methyl-2-(methylamino)propanamide
CID 62846737
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide
CID 114124548

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,3-dimethyl-2-methylidenebutanamide?
The IUPAC name of N-(2-aminoethyl)-3,3-dimethyl-2-methylidenebutanamide (CID 90944111) is N-(2-aminoethyl)-3,3-dimethyl-2-methylidenebutanamide.
What is the SMILES notation for N-(2-aminoethyl)-3,3-dimethyl-2-methylidenebutanamide?
The canonical SMILES for N-(2-aminoethyl)-3,3-dimethyl-2-methylidenebutanamide is C=C(C(=O)NCCN)C(C)(C)C.
What is the InChIKey of N-(2-aminoethyl)-3,3-dimethyl-2-methylidenebutanamide?
The InChIKey is QQLKHBJEQLUOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(9(2,3)4)8(12)11-6-5-10/h1,5-6,10H2,2-4H3,(H,11,12).
What are the key properties of N-(2-aminoethyl)-3,3-dimethyl-2-methylidenebutanamide?
N-(2-aminoethyl)-3,3-dimethyl-2-methylidenebutanamide has a molecular weight of 170.26 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,3-dimethyl-2-methylidenebutanamide is sourced from PubChem (CID 90944111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).