cis-(1S,2R)-2-(1-aminopropyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide

C17H26N2O — CID 10061924

IUPACcis-(1S,2R)-2-(1-aminopropyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCC(N)[C@@H]1C[C@@]1(C(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-4-15(18)14-12-17(14,13-10-8-7-9-11-13)16(20)19(5-2)6-3/h7-11,14-15H,4-6,12,18H2,1-3H3/t14-,15?,17+/m0/s1
InChIKeyLFIMCYFWWBLEGS-XJIUDMAQSA-N
MW274.41 g/mol
LogP2.55
Rot. Bonds6

About cis-(1S,2R)-2-(1-aminopropyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide

cis-(1S,2R)-2-(1-aminopropyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide (PubChem CID 10061924) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is cis-(1S,2R)-2-(1-aminopropyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(1-aminopropyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
PubChem CID10061924
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Namecis-(1S,2R)-2-(1-aminopropyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCC(N)[C@@H]1C[C@@]1(C(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-4-15(18)14-12-17(14,13-10-8-7-9-11-13)16(20)19(5-2)6-3/h7-11,14-15H,4-6,12,18H2,1-3H3/t14-,15?,17+/m0/s1
InChIKeyLFIMCYFWWBLEGS-XJIUDMAQSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.55
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-(1-aminopropyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(1-aminopropyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide (CID 10061924) is cis-(1S,2R)-2-(1-aminopropyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(1-aminopropyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(1-aminopropyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide is CCC(N)[C@@H]1C[C@@]1(C(=O)N(CC)CC)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-2-(1-aminopropyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
The InChIKey is LFIMCYFWWBLEGS-XJIUDMAQSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-15(18)14-12-17(14,13-10-8-7-9-11-13)16(20)19(5-2)6-3/h7-11,14-15H,4-6,12,18H2,1-3H3/t14-,15?,17+/m0/s1.
What are the key properties of cis-(1S,2R)-2-(1-aminopropyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide?
cis-(1S,2R)-2-(1-aminopropyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(1-aminopropyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 10061924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).