N-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide

C12H26N2O — CID 63754749

IUPACN-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide
SMILESCCC(CC)N(CCN)C(=O)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-6-10(7-2)14(9-8-13)11(15)12(3,4)5/h10H,6-9,13H2,1-5H3
InChIKeySSQTYYUUVVBMOD-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.01
Rot. Bonds5

About N-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide

N-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide (PubChem CID 63754749) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide
PubChem CID63754749
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide
SMILESCCC(CC)N(CCN)C(=O)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-6-10(7-2)14(9-8-13)11(15)12(3,4)5/h10H,6-9,13H2,1-5H3
InChIKeySSQTYYUUVVBMOD-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide
CID 63834573
N-(2-aminoethyl)-3,5,5-trimethyl-N-pentan-3-ylhexanamide
CID 55241774
1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea
CID 63766748
3-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-pentan-3-ylbutanamide
CID 65269598
1-(2-aminoethyl)-1-pentan-3-yl-3-propylurea
CID 63765781
N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide
CID 79151862
N-(2-aminoethyl)-2-cyclopentyl-N-pentan-3-ylacetamide
CID 63755102
1-(2-aminoethyl)-3-cyclobutyl-1-pentan-3-ylurea
CID 116658882
2-carbamothioyl-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbutanamide
CID 113270576
N-(2-aminoethyl)-4-methyl-N-pentan-3-ylpiperidine-1-carboxamide
CID 79162308
N-(2-aminoethyl)-2-(4-fluorophenyl)-N-pentan-3-ylacetamide
CID 63754035
N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
CID 55241197

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide?
The IUPAC name of N-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide (CID 63754749) is N-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide.
What is the SMILES notation for N-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide?
The canonical SMILES for N-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide is CCC(CC)N(CCN)C(=O)C(C)(C)C.
What is the InChIKey of N-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide?
The InChIKey is SSQTYYUUVVBMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-10(7-2)14(9-8-13)11(15)12(3,4)5/h10H,6-9,13H2,1-5H3.
What are the key properties of N-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide?
N-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide has a molecular weight of 214.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,2-dimethyl-N-pentan-3-ylpropanamide is sourced from PubChem (CID 63754749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).