N-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine

C16H25N — CID 55134746

IUPACN-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1(CC)c1ccc(C)cc1
InChIInChI=1S/C16H25N/c1-4-10-17-12-15-11-16(15,5-2)14-8-6-13(3)7-9-14/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyKSLZZASKYYNWPV-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.66
Rot. Bonds6

About N-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine

N-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine (PubChem CID 55134746) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine
PubChem CID55134746
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1(CC)c1ccc(C)cc1
InChIInChI=1S/C16H25N/c1-4-10-17-12-15-11-16(15,5-2)14-8-6-13(3)7-9-14/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyKSLZZASKYYNWPV-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 ≤ 500231.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine (CID 55134746) is N-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine is CCCNCC1CC1(CC)c1ccc(C)cc1.
What is the InChIKey of N-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is KSLZZASKYYNWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-10-17-12-15-11-16(15,5-2)14-8-6-13(3)7-9-14/h6-9,15,17H,4-5,10-12H2,1-3H3.
What are the key properties of N-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine?
N-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 231.38 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-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 55134746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).