N-(3-bromopropyl)-N-(naphthalen-1-ylmethyl)cyclobutanamine

C18H22BrN — CID 102860169

IUPACN-(3-bromopropyl)-N-(naphthalen-1-ylmethyl)cyclobutanamine
SMILESBrCCCN(Cc1cccc2ccccc12)C1CCC1
InChIInChI=1S/C18H22BrN/c19-12-5-13-20(17-9-4-10-17)14-16-8-3-7-15-6-1-2-11-18(15)16/h1-3,6-8,11,17H,4-5,9-10,12-14H2
InChIKeyUNKCYHOGYRADHS-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.98
Rot. Bonds6

About N-(3-bromopropyl)-N-(naphthalen-1-ylmethyl)cyclobutanamine

N-(3-bromopropyl)-N-(naphthalen-1-ylmethyl)cyclobutanamine (PubChem CID 102860169) has the molecular formula C18H22BrN and a molecular weight of 332.28 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-(naphthalen-1-ylmethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-(naphthalen-1-ylmethyl)cyclobutanamine
PubChem CID102860169
Molecular FormulaC18H22BrN
Molecular Weight332.28 g/mol
Exact Mass331.09
IUPAC NameN-(3-bromopropyl)-N-(naphthalen-1-ylmethyl)cyclobutanamine
SMILESBrCCCN(Cc1cccc2ccccc12)C1CCC1
InChIInChI=1S/C18H22BrN/c19-12-5-13-20(17-9-4-10-17)14-16-8-3-7-15-6-1-2-11-18(15)16/h1-3,6-8,11,17H,4-5,9-10,12-14H2
InChIKeyUNKCYHOGYRADHS-UHFFFAOYSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[cyclobutyl(naphthalen-1-ylmethyl)amino]ethanol
CID 102677069
N-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine
CID 102860146
N-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine
CID 102860813
N-(2-bromoethyl)-N-[(2-chlorophenyl)methyl]cyclobutanamine
CID 102860888
N-(3-bromopropyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutanamine
CID 103050093
N-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine
CID 102860014
N-(2-bromoethyl)-N-[(2,3-dichlorophenyl)methyl]cyclopentanamine
CID 107310031
N-(3-bromopropyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclobutanamine
CID 102860157
1-(5-bromopentoxymethyl)naphthalene
CID 19101842
N-(3-bromopropyl)-N-(quinolin-6-ylmethyl)cyclobutanamine
CID 102860359
N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84567191
3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol
CID 102848366

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-(naphthalen-1-ylmethyl)cyclobutanamine?
The IUPAC name of N-(3-bromopropyl)-N-(naphthalen-1-ylmethyl)cyclobutanamine (CID 102860169) is N-(3-bromopropyl)-N-(naphthalen-1-ylmethyl)cyclobutanamine.
What is the SMILES notation for N-(3-bromopropyl)-N-(naphthalen-1-ylmethyl)cyclobutanamine?
The canonical SMILES for N-(3-bromopropyl)-N-(naphthalen-1-ylmethyl)cyclobutanamine is BrCCCN(Cc1cccc2ccccc12)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-(naphthalen-1-ylmethyl)cyclobutanamine?
The InChIKey is UNKCYHOGYRADHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c19-12-5-13-20(17-9-4-10-17)14-16-8-3-7-15-6-1-2-11-18(15)16/h1-3,6-8,11,17H,4-5,9-10,12-14H2.
What are the key properties of N-(3-bromopropyl)-N-(naphthalen-1-ylmethyl)cyclobutanamine?
N-(3-bromopropyl)-N-(naphthalen-1-ylmethyl)cyclobutanamine has a molecular weight of 332.28 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-(naphthalen-1-ylmethyl)cyclobutanamine is sourced from PubChem (CID 102860169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).