N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine

C16H25N — CID 79443677

IUPACN-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine
SMILESCCC(C)C(CNC1CC1)c1ccc(C)cc1
InChIInChI=1S/C16H25N/c1-4-13(3)16(11-17-15-9-10-15)14-7-5-12(2)6-8-14/h5-8,13,15-17H,4,9-11H2,1-3H3
InChIKeyLPOGVXPAGSLRHC-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.88
Rot. Bonds6

About N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine

N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine (PubChem CID 79443677) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine
PubChem CID79443677
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine
SMILESCCC(C)C(CNC1CC1)c1ccc(C)cc1
InChIInChI=1S/C16H25N/c1-4-13(3)16(11-17-15-9-10-15)14-7-5-12(2)6-8-14/h5-8,13,15-17H,4,9-11H2,1-3H3
InChIKeyLPOGVXPAGSLRHC-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3,5-difluorophenyl)-3-methylpentyl]cyclopropanamine
CID 79443918
N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105975
N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine
CID 103984754
N-[2-(4-ethoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 66242807
N-[2-(4-methylphenyl)propyl]cyclopentanamine
CID 115641829
N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 104819458
1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene
CID 142349807
N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 66322051
N-[4-ethyl-2-(4-methylphenyl)octyl]cyclopropanamine
CID 79430983
N-[2-(5-chloro-2-methoxyphenyl)-3-methylpentyl]cyclopropanamine
CID 79446366
N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62106890
N-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 82930839

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine?
The IUPAC name of N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine (CID 79443677) is N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine?
The canonical SMILES for N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine is CCC(C)C(CNC1CC1)c1ccc(C)cc1.
What is the InChIKey of N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine?
The InChIKey is LPOGVXPAGSLRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-13(3)16(11-17-15-9-10-15)14-7-5-12(2)6-8-14/h5-8,13,15-17H,4,9-11H2,1-3H3.
What are the key properties of N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine?
N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine has a molecular weight of 231.38 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine is sourced from PubChem (CID 79443677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).