N-ethyl-3-methyl-1-(1-phenylcyclopropyl)but-3-en-1-amine

C16H23N — CID 79185073

IUPACN-ethyl-3-methyl-1-(1-phenylcyclopropyl)but-3-en-1-amine
SMILESC=C(C)CC(NCC)C1(c2ccccc2)CC1
InChIInChI=1S/C16H23N/c1-4-17-15(12-13(2)3)16(10-11-16)14-8-6-5-7-9-14/h5-9,15,17H,2,4,10-12H2,1,3H3
InChIKeyJXBMBFOBHOHBSD-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.66
Rot. Bonds6

About N-ethyl-3-methyl-1-(1-phenylcyclopropyl)but-3-en-1-amine

N-ethyl-3-methyl-1-(1-phenylcyclopropyl)but-3-en-1-amine (PubChem CID 79185073) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(1-phenylcyclopropyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(1-phenylcyclopropyl)but-3-en-1-amine
PubChem CID79185073
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-ethyl-3-methyl-1-(1-phenylcyclopropyl)but-3-en-1-amine
SMILESC=C(C)CC(NCC)C1(c2ccccc2)CC1
InChIInChI=1S/C16H23N/c1-4-17-15(12-13(2)3)16(10-11-16)14-8-6-5-7-9-14/h5-9,15,17H,2,4,10-12H2,1,3H3
InChIKeyJXBMBFOBHOHBSD-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.66
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-3-methyl-1-(1-phenylcyclopropyl)but-3-en-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-(1-phenylcyclopropyl)but-3-en-1-amine (CID 79185073) is N-ethyl-3-methyl-1-(1-phenylcyclopropyl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(1-phenylcyclopropyl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(1-phenylcyclopropyl)but-3-en-1-amine is C=C(C)CC(NCC)C1(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-3-methyl-1-(1-phenylcyclopropyl)but-3-en-1-amine?
The InChIKey is JXBMBFOBHOHBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-17-15(12-13(2)3)16(10-11-16)14-8-6-5-7-9-14/h5-9,15,17H,2,4,10-12H2,1,3H3.
What are the key properties of N-ethyl-3-methyl-1-(1-phenylcyclopropyl)but-3-en-1-amine?
N-ethyl-3-methyl-1-(1-phenylcyclopropyl)but-3-en-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(1-phenylcyclopropyl)but-3-en-1-amine is sourced from PubChem (CID 79185073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).