cis-(1S,2R)-2-[(1R)-1-aminoethyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide

C16H24N2O — CID 11032641

IUPACcis-(1S,2R)-2-[(1R)-1-aminoethyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1[C@@H](C)N
InChIInChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(11-14(16)12(3)17)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,17H2,1-3H3/t12-,14+,16-/m1/s1
InChIKeyJZWQQSJMOZMVFS-IVMMDQJWSA-N
MW260.38 g/mol
LogP2.16
Rot. Bonds5

About cis-(1S,2R)-2-[(1R)-1-aminoethyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide

cis-(1S,2R)-2-[(1R)-1-aminoethyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide (PubChem CID 11032641) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(1R)-1-aminoethyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(1R)-1-aminoethyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
PubChem CID11032641
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Namecis-(1S,2R)-2-[(1R)-1-aminoethyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1[C@@H](C)N
InChIInChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(11-14(16)12(3)17)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,17H2,1-3H3/t12-,14+,16-/m1/s1
InChIKeyJZWQQSJMOZMVFS-IVMMDQJWSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(1R)-1-aminoethyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-[(1R)-1-aminoethyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide (CID 11032641) is cis-(1S,2R)-2-[(1R)-1-aminoethyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-[(1R)-1-aminoethyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-[(1R)-1-aminoethyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide is CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1[C@@H](C)N.
What is the InChIKey of cis-(1S,2R)-2-[(1R)-1-aminoethyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
The InChIKey is JZWQQSJMOZMVFS-IVMMDQJWSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(11-14(16)12(3)17)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,17H2,1-3H3/t12-,14+,16-/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(1R)-1-aminoethyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
cis-(1S,2R)-2-[(1R)-1-aminoethyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(1R)-1-aminoethyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 11032641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).