N-[2-adamantyl-(2-methylthiophen-3-yl)methyl]propan-1-amine

C19H29NS — CID 102840928

IUPACN-[2-adamantyl-(2-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccsc1C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H29NS/c1-3-5-20-19(17-4-6-21-12(17)2)18-15-8-13-7-14(10-15)11-16(18)9-13/h4,6,13-16,18-20H,3,5,7-11H2,1-2H3
InChIKeyZRXABVZIHAXXQA-UHFFFAOYSA-N
MW303.51 g/mol
LogP5.17
Rot. Bonds5

About N-[2-adamantyl-(2-methylthiophen-3-yl)methyl]propan-1-amine

N-[2-adamantyl-(2-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 102840928) has the molecular formula C19H29NS and a molecular weight of 303.51 g/mol. Its IUPAC name is N-[2-adamantyl-(2-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-adamantyl-(2-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID102840928
Molecular FormulaC19H29NS
Molecular Weight303.51 g/mol
Exact Mass303.20
IUPAC NameN-[2-adamantyl-(2-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccsc1C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H29NS/c1-3-5-20-19(17-4-6-21-12(17)2)18-15-8-13-7-14(10-15)11-16(18)9-13/h4,6,13-16,18-20H,3,5,7-11H2,1-2H3
InChIKeyZRXABVZIHAXXQA-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.51
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-adamantyl-(2-methylthiophen-3-yl)methyl]propan-1-amine 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

N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102841954
N-[(1,1-dioxothiolan-3-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102833570
N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102840468
2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine
CID 102841986
N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
CID 103517279
N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102832629
N-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102648915
3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine
CID 102841960
3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 102840731
N-[(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102834065
N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831663
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841672

Frequently Asked Questions

What is the IUPAC name of N-[2-adamantyl-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[2-adamantyl-(2-methylthiophen-3-yl)methyl]propan-1-amine (CID 102840928) is N-[2-adamantyl-(2-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2-adamantyl-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2-adamantyl-(2-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1ccsc1C)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[2-adamantyl-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is ZRXABVZIHAXXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NS/c1-3-5-20-19(17-4-6-21-12(17)2)18-15-8-13-7-14(10-15)11-16(18)9-13/h4,6,13-16,18-20H,3,5,7-11H2,1-2H3.
What are the key properties of N-[2-adamantyl-(2-methylthiophen-3-yl)methyl]propan-1-amine?
N-[2-adamantyl-(2-methylthiophen-3-yl)methyl]propan-1-amine has a molecular weight of 303.51 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-adamantyl-(2-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 102840928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).