N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine

C18H29NO2 — CID 116517734

IUPACN-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(C(OCC)OCC)C1CC1c1ccccc1
InChIInChI=1S/C18H29NO2/c1-4-12-19-17(18(20-5-2)21-6-3)16-13-15(16)14-10-8-7-9-11-14/h7-11,15-19H,4-6,12-13H2,1-3H3
InChIKeyPPIUDTYJZLYKEG-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.56
Rot. Bonds10

About N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine

N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine (PubChem CID 116517734) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine
PubChem CID116517734
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(C(OCC)OCC)C1CC1c1ccccc1
InChIInChI=1S/C18H29NO2/c1-4-12-19-17(18(20-5-2)21-6-3)16-13-15(16)14-10-8-7-9-11-14/h7-11,15-19H,4-6,12-13H2,1-3H3
InChIKeyPPIUDTYJZLYKEG-UHFFFAOYSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116721385
N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517740
N-[(2-chlorophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517442
2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116725506
N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052478
1-(2-phenylcyclopropyl)-N-propyloctan-1-amine
CID 115832271
N-[6-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052510
N-[(5-methyloxolan-3-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052714
N-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216465
[2-methyl-1-(2-phenylcyclopropyl)butyl]hydrazine
CID 105219816
N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517868
2-(2-phenylcyclopropyl)-N-propylbutan-1-amine
CID 116518006

Frequently Asked Questions

What is the IUPAC name of N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine?
The IUPAC name of N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine (CID 116517734) is N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine is CCCNC(C(OCC)OCC)C1CC1c1ccccc1.
What is the InChIKey of N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine?
The InChIKey is PPIUDTYJZLYKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-12-19-17(18(20-5-2)21-6-3)16-13-15(16)14-10-8-7-9-11-14/h7-11,15-19H,4-6,12-13H2,1-3H3.
What are the key properties of N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine?
N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine is sourced from PubChem (CID 116517734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).