N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine

C17H27N — CID 65308417

IUPACN-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
SMILESCc1ccc(CCCCCCNC2CC2)cc1C
InChIInChI=1S/C17H27N/c1-14-8-9-16(13-15(14)2)7-5-3-4-6-12-18-17-10-11-17/h8-9,13,17-18H,3-7,10-12H2,1-2H3
InChIKeyGIUJGJFAKDZWNG-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.16
Rot. Bonds8

About N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine

N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine (PubChem CID 65308417) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
PubChem CID65308417
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
SMILESCc1ccc(CCCCCCNC2CC2)cc1C
InChIInChI=1S/C17H27N/c1-14-8-9-16(13-15(14)2)7-5-3-4-6-12-18-17-10-11-17/h8-9,13,17-18H,3-7,10-12H2,1-2H3
InChIKeyGIUJGJFAKDZWNG-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.16
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-(3,4-dimethylphenyl)ethyl]cyclohexanamine
CID 62551613
N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65306006
N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65308462
N-[4-(4-iodophenyl)butyl]cyclopropanamine
CID 65489763
N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine
CID 65301069
N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine
CID 65300915
N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine
CID 98017018
N-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine
CID 65305644
N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine
CID 104662908
6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308314
1,2-dimethyl-4-octylbenzene
CID 14044616
N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine
CID 105347923

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine?
The IUPAC name of N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine (CID 65308417) is N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine.
What is the SMILES notation for N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine?
The canonical SMILES for N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine is Cc1ccc(CCCCCCNC2CC2)cc1C.
What is the InChIKey of N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine?
The InChIKey is GIUJGJFAKDZWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14-8-9-16(13-15(14)2)7-5-3-4-6-12-18-17-10-11-17/h8-9,13,17-18H,3-7,10-12H2,1-2H3.
What are the key properties of N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine?
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine has a molecular weight of 245.41 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine is sourced from PubChem (CID 65308417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).