2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine

C17H25N — CID 105052535

IUPAC2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine
SMILESCCNC(C(C)C1CC1)C1CC1c1ccccc1
InChIInChI=1S/C17H25N/c1-3-18-17(12(2)13-9-10-13)16-11-15(16)14-7-5-4-6-8-14/h4-8,12-13,15-18H,3,9-11H2,1-2H3
InChIKeyUEOVPXACQJRPLZ-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.81
Rot. Bonds6

About 2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine

2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine (PubChem CID 105052535) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine
PubChem CID105052535
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine
SMILESCCNC(C(C)C1CC1)C1CC1c1ccccc1
InChIInChI=1S/C17H25N/c1-3-18-17(12(2)13-9-10-13)16-11-15(16)14-7-5-4-6-8-14/h4-8,12-13,15-18H,3,9-11H2,1-2H3
InChIKeyUEOVPXACQJRPLZ-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine (CID 105052535) is 2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine is CCNC(C(C)C1CC1)C1CC1c1ccccc1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine?
The InChIKey is UEOVPXACQJRPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-3-18-17(12(2)13-9-10-13)16-11-15(16)14-7-5-4-6-8-14/h4-8,12-13,15-18H,3,9-11H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine?
2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine is sourced from PubChem (CID 105052535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).