N-ethyl-2-methyl-1-(1-phenylcyclopropyl)prop-2-en-1-amine

C15H21N — CID 79177271

IUPACN-ethyl-2-methyl-1-(1-phenylcyclopropyl)prop-2-en-1-amine
SMILESC=C(C)C(NCC)C1(c2ccccc2)CC1
InChIInChI=1S/C15H21N/c1-4-16-14(12(2)3)15(10-11-15)13-8-6-5-7-9-13/h5-9,14,16H,2,4,10-11H2,1,3H3
InChIKeyYONVHPZBBSZJBX-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.27
Rot. Bonds5

About N-ethyl-2-methyl-1-(1-phenylcyclopropyl)prop-2-en-1-amine

N-ethyl-2-methyl-1-(1-phenylcyclopropyl)prop-2-en-1-amine (PubChem CID 79177271) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(1-phenylcyclopropyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(1-phenylcyclopropyl)prop-2-en-1-amine
PubChem CID79177271
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-ethyl-2-methyl-1-(1-phenylcyclopropyl)prop-2-en-1-amine
SMILESC=C(C)C(NCC)C1(c2ccccc2)CC1
InChIInChI=1S/C15H21N/c1-4-16-14(12(2)3)15(10-11-15)13-8-6-5-7-9-13/h5-9,14,16H,2,4,10-11H2,1,3H3
InChIKeyYONVHPZBBSZJBX-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(1-phenylcyclopropyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(1-phenylcyclopropyl)prop-2-en-1-amine (CID 79177271) is N-ethyl-2-methyl-1-(1-phenylcyclopropyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(1-phenylcyclopropyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(1-phenylcyclopropyl)prop-2-en-1-amine is C=C(C)C(NCC)C1(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-2-methyl-1-(1-phenylcyclopropyl)prop-2-en-1-amine?
The InChIKey is YONVHPZBBSZJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-4-16-14(12(2)3)15(10-11-15)13-8-6-5-7-9-13/h5-9,14,16H,2,4,10-11H2,1,3H3.
What are the key properties of N-ethyl-2-methyl-1-(1-phenylcyclopropyl)prop-2-en-1-amine?
N-ethyl-2-methyl-1-(1-phenylcyclopropyl)prop-2-en-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(1-phenylcyclopropyl)prop-2-en-1-amine is sourced from PubChem (CID 79177271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).