2-(2,2,3,3-tetramethylcyclopropyl)naphthalen-1-amine

C17H21N — CID 101443770

IUPAC2-(2,2,3,3-tetramethylcyclopropyl)naphthalen-1-amine
SMILESCC1(C)C(c2ccc3ccccc3c2N)C1(C)C
InChIInChI=1S/C17H21N/c1-16(2)15(17(16,3)4)13-10-9-11-7-5-6-8-12(11)14(13)18/h5-10,15H,18H2,1-4H3
InChIKeyMEMZTOVWCNUNNR-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.57
Rot. Bonds1

About 2-(2,2,3,3-tetramethylcyclopropyl)naphthalen-1-amine

2-(2,2,3,3-tetramethylcyclopropyl)naphthalen-1-amine (PubChem CID 101443770) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(2,2,3,3-tetramethylcyclopropyl)naphthalen-1-amine.

Molecular Properties

Compound Name2-(2,2,3,3-tetramethylcyclopropyl)naphthalen-1-amine
PubChem CID101443770
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2-(2,2,3,3-tetramethylcyclopropyl)naphthalen-1-amine
SMILESCC1(C)C(c2ccc3ccccc3c2N)C1(C)C
InChIInChI=1S/C17H21N/c1-16(2)15(17(16,3)4)13-10-9-11-7-5-6-8-12(11)14(13)18/h5-10,15H,18H2,1-4H3
InChIKeyMEMZTOVWCNUNNR-UHFFFAOYSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(7a-methyl-3,7-dihydro-2H-1-benzothiophen-2-yl)naphthalen-1-amine
CID 146497984
2-bromonaphthalen-1-amine
CID 10889478
CID 174017027
CID 174017027
2-sulfanyloxynaphthalen-1-amine
CID 143739116
2,2-dimethyl-3-naphthalen-1-yloxirane
CID 116864134
2-(difluoromethoxy)naphthalen-1-amine;ethane
CID 142518734
1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride
CID 139641730
2-aminonaphthalen-1-ol;ethane
CID 143085377
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
1-[2-(2,2-dimethylcyclopropyl)phenyl]naphthalene
CID 175297840
CID 135259743
CID 135259743

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetramethylcyclopropyl)naphthalen-1-amine?
The IUPAC name of 2-(2,2,3,3-tetramethylcyclopropyl)naphthalen-1-amine (CID 101443770) is 2-(2,2,3,3-tetramethylcyclopropyl)naphthalen-1-amine.
What is the SMILES notation for 2-(2,2,3,3-tetramethylcyclopropyl)naphthalen-1-amine?
The canonical SMILES for 2-(2,2,3,3-tetramethylcyclopropyl)naphthalen-1-amine is CC1(C)C(c2ccc3ccccc3c2N)C1(C)C.
What is the InChIKey of 2-(2,2,3,3-tetramethylcyclopropyl)naphthalen-1-amine?
The InChIKey is MEMZTOVWCNUNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-16(2)15(17(16,3)4)13-10-9-11-7-5-6-8-12(11)14(13)18/h5-10,15H,18H2,1-4H3.
What are the key properties of 2-(2,2,3,3-tetramethylcyclopropyl)naphthalen-1-amine?
2-(2,2,3,3-tetramethylcyclopropyl)naphthalen-1-amine has a molecular weight of 239.36 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetramethylcyclopropyl)naphthalen-1-amine is sourced from PubChem (CID 101443770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).