8-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-amine

C14H20N2 — CID 105470439

IUPAC8-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESNc1ccc2c(c1)C(CN1CCC1)CCC2
InChIInChI=1S/C14H20N2/c15-13-6-5-11-3-1-4-12(14(11)9-13)10-16-7-2-8-16/h5-6,9,12H,1-4,7-8,10,15H2
InChIKeyPZXYPENQANSHJP-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.39
Rot. Bonds2

About 8-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-amine

8-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 105470439) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 8-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name8-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID105470439
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name8-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESNc1ccc2c(c1)C(CN1CCC1)CCC2
InChIInChI=1S/C14H20N2/c15-13-6-5-11-3-1-4-12(14(11)9-13)10-16-7-2-8-16/h5-6,9,12H,1-4,7-8,10,15H2
InChIKeyPZXYPENQANSHJP-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine
CID 23504798
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine
CID 23504807
1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 21256693
(1R)-1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 55277801
8-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 105470438
3-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine
CID 23504796
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine
CID 63773328
8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 105470466
7-amino-1,2,3,4-tetrahydronaphthalen-1-ol
CID 15840809
(8R)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 57293578
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane
CID 63772764
(8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 129395359

Frequently Asked Questions

What is the IUPAC name of 8-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of 8-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-amine (CID 105470439) is 8-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 8-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for 8-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-amine is Nc1ccc2c(c1)C(CN1CCC1)CCC2.
What is the InChIKey of 8-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is PZXYPENQANSHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c15-13-6-5-11-3-1-4-12(14(11)9-13)10-16-7-2-8-16/h5-6,9,12H,1-4,7-8,10,15H2.
What are the key properties of 8-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-amine?
8-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 216.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 105470439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).