N-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride

C19H29ClN2O — CID 170897051

IUPACN-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride
SMILESCN(C(=O)C[C@H]1CCc2ccccc2C1)C1CCC(N)CC1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-21(18-10-8-17(20)9-11-18)19(22)13-14-6-7-15-4-2-3-5-16(15)12-14;/h2-5,14,17-18H,6-13,20H2,1H3;1H/t14-,17?,18?;/m0./s1
InChIKeyQJIIWCYNBNTLNG-DUIJNNLQSA-N
MW336.91 g/mol
LogP3.33
Rot. Bonds3

About N-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride

N-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride (PubChem CID 170897051) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride
PubChem CID170897051
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC NameN-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride
SMILESCN(C(=O)C[C@H]1CCc2ccccc2C1)C1CCC(N)CC1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-21(18-10-8-17(20)9-11-18)19(22)13-14-6-7-15-4-2-3-5-16(15)12-14;/h2-5,14,17-18H,6-13,20H2,1H3;1H/t14-,17?,18?;/m0./s1
InChIKeyQJIIWCYNBNTLNG-DUIJNNLQSA-N
XLogP3.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride with MolForge

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Related Compounds

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CID 119200234
1-(4-aminopiperidin-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone;hydrochloride
CID 119375839
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CID 154578112
2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid
CID 129362346
1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
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3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride
CID 119746207
N-methyl-4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
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[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride (CID 170897051) is N-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride is CN(C(=O)C[C@H]1CCc2ccccc2C1)C1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride?
The InChIKey is QJIIWCYNBNTLNG-DUIJNNLQSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-21(18-10-8-17(20)9-11-18)19(22)13-14-6-7-15-4-2-3-5-16(15)12-14;/h2-5,14,17-18H,6-13,20H2,1H3;1H/t14-,17?,18?;/m0./s1.
What are the key properties of N-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride?
N-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 170897051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).