1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone

C19H27NO — CID 116595122

IUPAC1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
SMILESNC1CCCCCC1C(=O)CC1CCCc2ccccc21
InChIInChI=1S/C19H27NO/c20-18-12-3-1-2-11-17(18)19(21)13-15-9-6-8-14-7-4-5-10-16(14)15/h4-5,7,10,15,17-18H,1-3,6,8-9,11-13,20H2
InChIKeySOUXBRWIIHWEHH-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.97
Rot. Bonds3

About 1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone

1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone (PubChem CID 116595122) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
PubChem CID116595122
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
SMILESNC1CCCCCC1C(=O)CC1CCCc2ccccc21
InChIInChI=1S/C19H27NO/c20-18-12-3-1-2-11-17(18)19(21)13-15-9-6-8-14-7-4-5-10-16(14)15/h4-5,7,10,15,17-18H,1-3,6,8-9,11-13,20H2
InChIKeySOUXBRWIIHWEHH-UHFFFAOYSA-N
XLogP3.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 116584802
1-[(2S,4S)-4-methylpyrrolidin-2-yl]-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
CID 167540854
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-thiomorpholin-3-ylethanone
CID 116609481
trans-(1R,2R)-2-amino-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide
CID 177310658
1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116558983
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 119411829
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473
[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine
CID 81010954
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
2-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 64824104
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 84588598

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone?
The IUPAC name of 1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone (CID 116595122) is 1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone.
What is the SMILES notation for 1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone?
The canonical SMILES for 1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone is NC1CCCCCC1C(=O)CC1CCCc2ccccc21.
What is the InChIKey of 1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone?
The InChIKey is SOUXBRWIIHWEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c20-18-12-3-1-2-11-17(18)19(21)13-15-9-6-8-14-7-4-5-10-16(14)15/h4-5,7,10,15,17-18H,1-3,6,8-9,11-13,20H2.
What are the key properties of 1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone?
1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone has a molecular weight of 285.43 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone is sourced from PubChem (CID 116595122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).