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

C15H22N2 — CID 105488680

IUPAC8-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESNc1cccc2c1C(CN1CCCC1)CCC2
InChIInChI=1S/C15H22N2/c16-14-8-4-6-12-5-3-7-13(15(12)14)11-17-9-1-2-10-17/h4,6,8,13H,1-3,5,7,9-11,16H2
InChIKeyWULHWEMGLJQHQD-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.78
Rot. Bonds2

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

8-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 105488680) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 8-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name8-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID105488680
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name8-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESNc1cccc2c1C(CN1CCCC1)CCC2
InChIInChI=1S/C15H22N2/c16-14-8-4-6-12-5-3-7-13(15(12)14)11-17-9-1-2-10-17/h4,6,8,13H,1-3,5,7,9-11,16H2
InChIKeyWULHWEMGLJQHQD-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.78
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

8-(diethylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 105491978
1-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-amine
CID 105470445
8-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 105470439
(8-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 105422246
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane
CID 63772764
8-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 83827745
1-(2-bromoethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 80678906
[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methanol
CID 55242278
N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide
CID 77041361
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 83829383
2-(7-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 105422248
(8R)-8-amino-5,6,7,8-tetrahydronaphthalen-1-ol
CID 130673743

Frequently Asked Questions

What is the IUPAC name of 8-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of 8-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine (CID 105488680) is 8-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 8-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for 8-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine is Nc1cccc2c1C(CN1CCCC1)CCC2.
What is the InChIKey of 8-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is WULHWEMGLJQHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-14-8-4-6-12-5-3-7-13(15(12)14)11-17-9-1-2-10-17/h4,6,8,13H,1-3,5,7,9-11,16H2.
What are the key properties of 8-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
8-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 105488680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).