N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine

C15H22N2 — CID 115207340

IUPACN-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCN(CC1CNC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H22N2/c1-17(11-12-9-16-10-12)15-7-6-13-4-2-3-5-14(13)8-15/h6-8,12,16H,2-5,9-11H2,1H3
InChIKeyNJLDTUPCCAGJRD-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.22
Rot. Bonds3

About N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine

N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 115207340) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID115207340
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCN(CC1CNC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H22N2/c1-17(11-12-9-16-10-12)15-7-6-13-4-2-3-5-14(13)8-15/h6-8,12,16H,2-5,9-11H2,1H3
InChIKeyNJLDTUPCCAGJRD-UHFFFAOYSA-N
XLogP2.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(azetidin-3-yl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methylmethanamine
CID 115207637
N-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine
CID 117040535
N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline
CID 115207341
4-[azetidin-3-ylmethyl(methyl)amino]phenol
CID 84664189
N-(methoxymethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115258314
N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115258329
N-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 115238608
N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine
CID 115207468
N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline
CID 84672641
N-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115215476
N-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine
CID 115207431
N-(azetidin-3-ylmethyl)-N-methyl-4-methylsulfonylaniline
CID 115207423

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine (CID 115207340) is N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine is CN(CC1CNC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is NJLDTUPCCAGJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-17(11-12-9-16-10-12)15-7-6-13-4-2-3-5-14(13)8-15/h6-8,12,16H,2-5,9-11H2,1H3.
What are the key properties of N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 230.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 115207340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).