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

C15H23N — CID 62708377

IUPACN-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNCC1CC1(CC)c1ccccc1
InChIInChI=1S/C15H23N/c1-3-10-16-12-14-11-15(14,4-2)13-8-6-5-7-9-13/h5-9,14,16H,3-4,10-12H2,1-2H3
InChIKeyCYHUXQRYHHKENX-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.35
Rot. Bonds6

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

N-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine (PubChem CID 62708377) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine
PubChem CID62708377
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNCC1CC1(CC)c1ccccc1
InChIInChI=1S/C15H23N/c1-3-10-16-12-14-11-15(14,4-2)13-8-6-5-7-9-13/h5-9,14,16H,3-4,10-12H2,1-2H3
InChIKeyCYHUXQRYHHKENX-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.35
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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Related Compounds

N-[(2-benzyl-2-phenylcyclopropyl)methyl]propan-1-amine
CID 62707852
N-[[2-ethyl-2-(4-methylphenyl)cyclopropyl]methyl]propan-1-amine
CID 55134746
N-[[2-ethyl-2-(4-fluorophenyl)cyclopropyl]methyl]propan-1-amine
CID 55138904
N-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine
CID 62708367
N-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine
CID 62713015
N-[[2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62714780
N-[[2-methyl-2-(3-methylphenyl)cyclopropyl]methyl]propan-1-amine
CID 62708366
N-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 112680012
[(1R,2R)-2-ethyl-1-phenylcyclopropyl]methanol
CID 46702611
N-[[2-(2,3-dichlorophenyl)-2-methylcyclopropyl]methyl]propan-1-amine
CID 114079793
N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine
CID 62708007
N-[[1-(4-chlorophenyl)-2-ethylcyclopropyl]methyl]propan-1-amine
CID 113404796

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine (CID 62708377) is N-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine is CCCNCC1CC1(CC)c1ccccc1.
What is the InChIKey of N-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine?
The InChIKey is CYHUXQRYHHKENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-10-16-12-14-11-15(14,4-2)13-8-6-5-7-9-13/h5-9,14,16H,3-4,10-12H2,1-2H3.
What are the key properties of N-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine?
N-[(2-ethyl-2-phenylcyclopropyl)methyl]propan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.35, 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-phenylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 62708377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).