3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine

C17H22N2 — CID 115214333

IUPAC3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine
SMILESNC1CC(CNCCc2cccc3ccccc23)C1
InChIInChI=1S/C17H22N2/c18-16-10-13(11-16)12-19-9-8-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,13,16,19H,8-12,18H2
InChIKeyJHGDKSYEIRZKCQ-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.71
Rot. Bonds5

About 3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine

3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine (PubChem CID 115214333) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine
PubChem CID115214333
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine
SMILESNC1CC(CNCCc2cccc3ccccc23)C1
InChIInChI=1S/C17H22N2/c18-16-10-13(11-16)12-19-9-8-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,13,16,19H,8-12,18H2
InChIKeyJHGDKSYEIRZKCQ-UHFFFAOYSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine
CID 115214284
2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221686
2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine
CID 115209720
(2-naphthalen-1-ylethylamino)methanol
CID 115229403
4-[2-(cyclopropylmethylamino)ethyl]naphthalen-2-ol
CID 177057254
2-(cyclopropylmethylamino)-N-(2-naphthalen-1-ylethyl)acetamide
CID 119722516
3-amino-N-(2-naphthalen-1-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119722507
2-(cyclopropylmethylamino)-N-(2-naphthalen-1-ylethyl)acetamide;hydrochloride
CID 119722515
2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol
CID 115137096
N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine
CID 87606018
1-cyclobutyl-N-(naphthalen-1-ylmethyl)methanamine
CID 43298553
4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid
CID 122031153

Frequently Asked Questions

What is the IUPAC name of 3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine (CID 115214333) is 3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine is NC1CC(CNCCc2cccc3ccccc23)C1.
What is the InChIKey of 3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine?
The InChIKey is JHGDKSYEIRZKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c18-16-10-13(11-16)12-19-9-8-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,13,16,19H,8-12,18H2.
What are the key properties of 3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine?
3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).