N-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine

C18H23N — CID 81432277

IUPACN-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine
SMILESCc1ccc2ccccc2c1CCCCNC1CC1
InChIInChI=1S/C18H23N/c1-14-9-10-15-6-2-3-8-18(15)17(14)7-4-5-13-19-16-11-12-16/h2-3,6,8-10,16,19H,4-5,7,11-13H2,1H3
InChIKeyFWSMRQLZOPOWOS-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.22
Rot. Bonds6

About N-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine

N-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine (PubChem CID 81432277) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine
PubChem CID81432277
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine
SMILESCc1ccc2ccccc2c1CCCCNC1CC1
InChIInChI=1S/C18H23N/c1-14-9-10-15-6-2-3-8-18(15)17(14)7-4-5-13-19-16-11-12-16/h2-3,6,8-10,16,19H,4-5,7,11-13H2,1H3
InChIKeyFWSMRQLZOPOWOS-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.22
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-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
N-(3-isoquinolin-4-ylpropyl)cyclopropanamine
CID 64506104
N-[4-[3-(aminomethyl)-1-benzofuran-2-yl]butyl]cyclopropanamine
CID 66338829
N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine
CID 98017013
N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine
CID 65300642
N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine
CID 65308766
N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494841
N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98784588
3-[3-(cyclopropylamino)propyl]-4-methylpyridin-2-amine
CID 64505159
N-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine
CID 106906810
N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine
CID 65308377
1-[[(4-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride
CID 44531473

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine?
The IUPAC name of N-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine (CID 81432277) is N-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine is Cc1ccc2ccccc2c1CCCCNC1CC1.
What is the InChIKey of N-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine?
The InChIKey is FWSMRQLZOPOWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14-9-10-15-6-2-3-8-18(15)17(14)7-4-5-13-19-16-11-12-16/h2-3,6,8-10,16,19H,4-5,7,11-13H2,1H3.
What are the key properties of N-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine?
N-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine has a molecular weight of 253.39 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine is sourced from PubChem (CID 81432277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).