3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine

C16H20N2 — CID 116937429

IUPAC3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine
SMILESCc1ccc2cc(C(N)C3CC(N)C3)ccc2c1
InChIInChI=1S/C16H20N2/c1-10-2-3-12-7-13(5-4-11(12)6-10)16(18)14-8-15(17)9-14/h2-7,14-16H,8-9,17-18H2,1H3
InChIKeyXHASOVKJSMSIFA-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.89
Rot. Bonds2

About 3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine

3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine (PubChem CID 116937429) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine
PubChem CID116937429
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine
SMILESCc1ccc2cc(C(N)C3CC(N)C3)ccc2c1
InChIInChI=1S/C16H20N2/c1-10-2-3-12-7-13(5-4-11(12)6-10)16(18)14-8-15(17)9-14/h2-7,14-16H,8-9,17-18H2,1H3
InChIKeyXHASOVKJSMSIFA-UHFFFAOYSA-N
XLogP2.89
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116938681
3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine
CID 116937304
3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]cyclobutan-1-amine
CID 116937388
(6-methylnaphthalen-2-yl)-(4-methylpiperazin-2-yl)methanamine
CID 116941438
(3-ethylcyclopentyl)-(3-methylphenyl)methanamine
CID 65410214
3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine
CID 115790226
3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine
CID 116937412
(3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine
CID 81228911
3-[amino-(4-methoxy-3,5-dimethylphenyl)methyl]cyclobutan-1-amine
CID 116937420
3-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine
CID 116937380
(3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine
CID 64738648
3-[amino(1,3-benzoxazol-6-yl)methyl]cyclobutan-1-amine
CID 116937387

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine (CID 116937429) is 3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine is Cc1ccc2cc(C(N)C3CC(N)C3)ccc2c1.
What is the InChIKey of 3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is XHASOVKJSMSIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-10-2-3-12-7-13(5-4-11(12)6-10)16(18)14-8-15(17)9-14/h2-7,14-16H,8-9,17-18H2,1H3.
What are the key properties of 3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine?
3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(6-methylnaphthalen-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116937429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).