N-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride

C19H29ClN2O — CID 170899391

IUPACN-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
SMILESCl.NCC1CCC(NC(=O)C[C@H]2CCCc3ccccc32)CC1
InChIInChI=1S/C19H28N2O.ClH/c20-13-14-8-10-17(11-9-14)21-19(22)12-16-6-3-5-15-4-1-2-7-18(15)16;/h1-2,4,7,14,16-17H,3,5-6,8-13,20H2,(H,21,22);1H/t14?,16-,17?;/m1./s1
InChIKeyIYMMSDJOXSCXPK-MEKYTPSPSA-N
MW336.91 g/mol
LogP3.55
Rot. Bonds4

About N-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride

N-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride (PubChem CID 170899391) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is N-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
PubChem CID170899391
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC NameN-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
SMILESCl.NCC1CCC(NC(=O)C[C@H]2CCCc3ccccc32)CC1
InChIInChI=1S/C19H28N2O.ClH/c20-13-14-8-10-17(11-9-14)21-19(22)12-16-6-3-5-15-4-1-2-7-18(15)16;/h1-2,4,7,14,16-17H,3,5-6,8-13,20H2,(H,21,22);1H/t14?,16-,17?;/m1./s1
InChIKeyIYMMSDJOXSCXPK-MEKYTPSPSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 98348274
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 99955335
4-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]butanoic acid
CID 119170863
N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119515915
1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116558983
4-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119291488
1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
CID 106123359
N-cyclopropyl-2-[methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]amino]acetamide
CID 9053146
7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one
CID 116574746
N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide
CID 120604447
N-(2-piperidin-3-ylethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119557713

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride?
The IUPAC name of N-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride (CID 170899391) is N-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride is Cl.NCC1CCC(NC(=O)C[C@H]2CCCc3ccccc32)CC1.
What is the InChIKey of N-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride?
The InChIKey is IYMMSDJOXSCXPK-MEKYTPSPSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c20-13-14-8-10-17(11-9-14)21-19(22)12-16-6-3-5-15-4-1-2-7-18(15)16;/h1-2,4,7,14,16-17H,3,5-6,8-13,20H2,(H,21,22);1H/t14?,16-,17?;/m1./s1.
What are the key properties of N-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride?
N-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 170899391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).