N-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine

C19H31N — CID 82930839

IUPACN-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
SMILESCCC(CC)CC(CNC1CC1)Cc1ccc(C)cc1
InChIInChI=1S/C19H31N/c1-4-16(5-2)12-18(14-20-19-10-11-19)13-17-8-6-15(3)7-9-17/h6-9,16,18-20H,4-5,10-14H2,1-3H3
InChIKeySAJSZDXEHZKSLF-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.73
Rot. Bonds9

About N-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine

N-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine (PubChem CID 82930839) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
PubChem CID82930839
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
SMILESCCC(CC)CC(CNC1CC1)Cc1ccc(C)cc1
InChIInChI=1S/C19H31N/c1-4-16(5-2)12-18(14-20-19-10-11-19)13-17-8-6-15(3)7-9-17/h6-9,16,18-20H,4-5,10-14H2,1-3H3
InChIKeySAJSZDXEHZKSLF-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-methyl-2-[(4-methylphenyl)methyl]heptyl]cyclopropanamine
CID 63522593
N-[2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 63523137
N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine
CID 62531188
N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 82925737
N-[2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutyl]cyclopropanamine
CID 62514332
N-[2-cyclohexyl-3-(4-methylphenyl)propyl]cyclopropanamine
CID 82934027
N-(2-benzyl-4-methylheptyl)cyclopropanamine
CID 55196781
N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 62531282
N-[4-ethyl-2-(4-methylphenyl)octyl]cyclopropanamine
CID 79430983
N-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine
CID 62528938
N-(2-benzylbutyl)-1-methylpiperidin-4-amine
CID 50954737
N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine
CID 79443677

Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine?
The IUPAC name of N-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine (CID 82930839) is N-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine.
What is the SMILES notation for N-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine?
The canonical SMILES for N-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine is CCC(CC)CC(CNC1CC1)Cc1ccc(C)cc1.
What is the InChIKey of N-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine?
The InChIKey is SAJSZDXEHZKSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-16(5-2)12-18(14-20-19-10-11-19)13-17-8-6-15(3)7-9-17/h6-9,16,18-20H,4-5,10-14H2,1-3H3.
What are the key properties of N-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine?
N-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine has a molecular weight of 273.46 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine is sourced from PubChem (CID 82930839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).