2-(dimethylamino)ethyl-dimethyl-(naphthalen-1-ylmethyl)azanium

C17H25N2+ — CID 101160835

IUPAC2-(dimethylamino)ethyl-dimethyl-(naphthalen-1-ylmethyl)azanium
SMILESCN(C)CC[N+](C)(C)Cc1cccc2ccccc12
InChIInChI=1S/C17H25N2/c1-18(2)12-13-19(3,4)14-16-10-7-9-15-8-5-6-11-17(15)16/h5-11H,12-14H2,1-4H3/q+1
InChIKeySANKVMBRXBCPGL-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.98
Rot. Bonds5

About 2-(dimethylamino)ethyl-dimethyl-(naphthalen-1-ylmethyl)azanium

2-(dimethylamino)ethyl-dimethyl-(naphthalen-1-ylmethyl)azanium (PubChem CID 101160835) has the molecular formula C17H25N2+ and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl-dimethyl-(naphthalen-1-ylmethyl)azanium.

Molecular Properties

Compound Name2-(dimethylamino)ethyl-dimethyl-(naphthalen-1-ylmethyl)azanium
PubChem CID101160835
Molecular FormulaC17H25N2+
Molecular Weight257.40 g/mol
Exact Mass257.20
IUPAC Name2-(dimethylamino)ethyl-dimethyl-(naphthalen-1-ylmethyl)azanium
SMILESCN(C)CC[N+](C)(C)Cc1cccc2ccccc12
InChIInChI=1S/C17H25N2/c1-18(2)12-13-19(3,4)14-16-10-7-9-15-8-5-6-11-17(15)16/h5-11H,12-14H2,1-4H3/q+1
InChIKeySANKVMBRXBCPGL-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)ethyl-dimethyl-(naphthalen-1-ylmethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide
CID 88833984
N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059419
N,N-dimethyl-2-(2-naphthalen-1-ylethoxy)ethanamine;hydrochloride
CID 22666549
5-(dimethylamino)-1-naphthalen-1-ylpentan-2-ol
CID 70057285
dimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride
CID 73385961
N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 62975885
N-methanidyl-N-methyl-1-naphthalen-1-ylmethanamine
CID 20723537
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine
CID 129196216
N-methyl-N-(2-naphthalen-1-ylethyl)propan-2-amine
CID 117044251
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride
CID 17294534

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl-dimethyl-(naphthalen-1-ylmethyl)azanium?
The IUPAC name of 2-(dimethylamino)ethyl-dimethyl-(naphthalen-1-ylmethyl)azanium (CID 101160835) is 2-(dimethylamino)ethyl-dimethyl-(naphthalen-1-ylmethyl)azanium.
What is the SMILES notation for 2-(dimethylamino)ethyl-dimethyl-(naphthalen-1-ylmethyl)azanium?
The canonical SMILES for 2-(dimethylamino)ethyl-dimethyl-(naphthalen-1-ylmethyl)azanium is CN(C)CC[N+](C)(C)Cc1cccc2ccccc12.
What is the InChIKey of 2-(dimethylamino)ethyl-dimethyl-(naphthalen-1-ylmethyl)azanium?
The InChIKey is SANKVMBRXBCPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N2/c1-18(2)12-13-19(3,4)14-16-10-7-9-15-8-5-6-11-17(15)16/h5-11H,12-14H2,1-4H3/q+1.
What are the key properties of 2-(dimethylamino)ethyl-dimethyl-(naphthalen-1-ylmethyl)azanium?
2-(dimethylamino)ethyl-dimethyl-(naphthalen-1-ylmethyl)azanium has a molecular weight of 257.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl-dimethyl-(naphthalen-1-ylmethyl)azanium is sourced from PubChem (CID 101160835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).