N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C17H26N2O — CID 66477971

IUPACN-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)N(CCN)Cc2ccccc2)C1(C)C
InChIInChI=1S/C17H26N2O/c1-16(2)14(17(16,3)4)15(20)19(11-10-18)12-13-8-6-5-7-9-13/h5-9,14H,10-12,18H2,1-4H3
InChIKeyRNQSBGCDWVXTLJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.66
Rot. Bonds5

About N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 66477971) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID66477971
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)N(CCN)Cc2ccccc2)C1(C)C
InChIInChI=1S/C17H26N2O/c1-16(2)14(17(16,3)4)15(20)19(11-10-18)12-13-8-6-5-7-9-13/h5-9,14H,10-12,18H2,1-4H3
InChIKeyRNQSBGCDWVXTLJ-UHFFFAOYSA-N
XLogP2.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
CID 79153729
N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide
CID 107366064
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
(2R)-N-(2-aminoethyl)-N-benzyl-5-oxopyrrolidine-2-carboxamide
CID 104859504
1-(2-aminoethyl)-1-benzyl-3-tert-butylurea
CID 61014681
N-(2-aminoethyl)-N-benzyl-4-methylpentanamide
CID 61014679
N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide
CID 104859488
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide
CID 104859578
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(2-aminoethyl)-N-benzyl-2-(2-methoxyethoxy)acetamide
CID 104859530
N-(2-aminoethyl)-N-benzyl-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 154577004

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 66477971) is N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)N(CCN)Cc2ccccc2)C1(C)C.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is RNQSBGCDWVXTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-16(2)14(17(16,3)4)15(20)19(11-10-18)12-13-8-6-5-7-9-13/h5-9,14H,10-12,18H2,1-4H3.
What are the key properties of N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 66477971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).