N-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine

C18H29NO — CID 103036875

IUPACN-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine
SMILESCOC(C)(C)CCC(CNC1CC1)c1ccc(C)cc1
InChIInChI=1S/C18H29NO/c1-14-5-7-15(8-6-14)16(13-19-17-9-10-17)11-12-18(2,3)20-4/h5-8,16-17,19H,9-13H2,1-4H3
InChIKeyPYCCPWUDXMCZCB-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.04
Rot. Bonds8

About N-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine

N-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine (PubChem CID 103036875) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine
PubChem CID103036875
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine
SMILESCOC(C)(C)CCC(CNC1CC1)c1ccc(C)cc1
InChIInChI=1S/C18H29NO/c1-14-5-7-15(8-6-14)16(13-19-17-9-10-17)11-12-18(2,3)20-4/h5-8,16-17,19H,9-13H2,1-4H3
InChIKeyPYCCPWUDXMCZCB-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 106667054
N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine
CID 103036870
N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine
CID 103984754
N-[5-ethylsulfonyl-2-(4-methylphenyl)pentyl]cyclopropanamine
CID 79430982
N-[4-ethyl-2-(4-methylphenyl)octyl]cyclopropanamine
CID 79430983
1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine
CID 103019940
2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036902
N-[2-(4-methylphenyl)propyl]cyclopentanamine
CID 115641829
N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 104819458
N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine
CID 79443677
N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine
CID 79437348
N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105975

Frequently Asked Questions

What is the IUPAC name of N-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine?
The IUPAC name of N-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine (CID 103036875) is N-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine.
What is the SMILES notation for N-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine?
The canonical SMILES for N-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine is COC(C)(C)CCC(CNC1CC1)c1ccc(C)cc1.
What is the InChIKey of N-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine?
The InChIKey is PYCCPWUDXMCZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14-5-7-15(8-6-14)16(13-19-17-9-10-17)11-12-18(2,3)20-4/h5-8,16-17,19H,9-13H2,1-4H3.
What are the key properties of N-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine?
N-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine has a molecular weight of 275.44 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine is sourced from PubChem (CID 103036875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).