N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine chloride

C16H23ClNS- — CID 53350965

IUPACN-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine chloride
SMILESCc1ccsc1CNC12CC3CC(CC(C3)C1)C2.[Cl-]
InChIInChI=1S/C16H23NS.ClH/c1-11-2-3-18-15(11)10-17-16-7-12-4-13(8-16)6-14(5-12)9-16;/h2-3,12-14,17H,4-10H2,1H3;1H/p-1
InChIKeyPXTLRGZSANFJCR-UHFFFAOYSA-M
MW296.89 g/mol
LogP1.12
Rot. Bonds3

About N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine chloride

N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine chloride (PubChem CID 53350965) has the molecular formula C16H23ClNS- and a molecular weight of 296.89 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine chloride.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine chloride
PubChem CID53350965
Molecular FormulaC16H23ClNS-
Molecular Weight296.89 g/mol
Exact Mass296.12
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine chloride
SMILESCc1ccsc1CNC12CC3CC(CC(C3)C1)C2.[Cl-]
InChIInChI=1S/C16H23NS.ClH/c1-11-2-3-18-15(11)10-17-16-7-12-4-13(8-16)6-14(5-12)9-16;/h2-3,12-14,17H,4-10H2,1H3;1H/p-1
InChIKeyPXTLRGZSANFJCR-UHFFFAOYSA-M
XLogP1.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine chloride 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-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
CID 32958884
2-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropan-1-amine
CID 62397682
2-[(1-adamantylamino)methyl]-6-methylphenol
CID 115950917
3-bromo-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
CID 134056530
2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid
CID 107142925
N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696483
2-[(1-adamantylamino)methyl]-4-methylphenol
CID 63323320
1,1-dimethyl-2-[(3-methylthiophen-2-yl)methyl]hydrazine
CID 83003822
N-[(4-propan-2-ylphenyl)methyl]adamantan-1-amine
CID 4721713
1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 115712849
N-[(4-trimethylsilylphenyl)methyl]adamantan-1-amine
CID 71609932
(1R,2R,3R,5R)-2,6,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]bicyclo[3.1.1]heptan-3-amine
CID 71569286

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine chloride?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine chloride (CID 53350965) is N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine chloride.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine chloride?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine chloride is Cc1ccsc1CNC12CC3CC(CC(C3)C1)C2.[Cl-].
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine chloride?
The InChIKey is PXTLRGZSANFJCR-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H23NS.ClH/c1-11-2-3-18-15(11)10-17-16-7-12-4-13(8-16)6-14(5-12)9-16;/h2-3,12-14,17H,4-10H2,1H3;1H/p-1.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine chloride?
N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine chloride has a molecular weight of 296.89 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]adamantan-1-amine chloride is sourced from PubChem (CID 53350965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).