(3-methyl-1-adamantyl)-thiophen-2-ylmethanamine

C16H23NS — CID 113402734

IUPAC(3-methyl-1-adamantyl)-thiophen-2-ylmethanamine
SMILESCC12CC3CC(C1)CC(C(N)c1cccs1)(C3)C2
InChIInChI=1S/C16H23NS/c1-15-6-11-5-12(7-15)9-16(8-11,10-15)14(17)13-3-2-4-18-13/h2-4,11-12,14H,5-10,17H2,1H3
InChIKeyPMPQKRSTYFNARC-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.35
Rot. Bonds2

About (3-methyl-1-adamantyl)-thiophen-2-ylmethanamine

(3-methyl-1-adamantyl)-thiophen-2-ylmethanamine (PubChem CID 113402734) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is (3-methyl-1-adamantyl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(3-methyl-1-adamantyl)-thiophen-2-ylmethanamine
PubChem CID113402734
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name(3-methyl-1-adamantyl)-thiophen-2-ylmethanamine
SMILESCC12CC3CC(C1)CC(C(N)c1cccs1)(C3)C2
InChIInChI=1S/C16H23NS/c1-15-6-11-5-12(7-15)9-16(8-11,10-15)14(17)13-3-2-4-18-13/h2-4,11-12,14H,5-10,17H2,1H3
InChIKeyPMPQKRSTYFNARC-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-1-adamantyl)-thiophen-2-ylmethanamine
CID 118205900
(3-methyl-1-adamantyl)-(4-methyl-3-pyridinyl)methanamine
CID 105006638
1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43483460
(3-fluoro-5-methylphenyl)-(3-methyl-1-adamantyl)methanamine
CID 105016628
2-[bromo-(3-methyl-1-adamantyl)methyl]-3-chlorothiophene
CID 113402769
(3,5-dimethyl-1-adamantyl)-(3-methylthiophen-2-yl)methanamine
CID 79999933
2-[2-chloro-2-(3,5-dimethyl-1-adamantyl)ethyl]thiophene
CID 79999327
(4,5-dibromothiophen-2-yl)-(3,5-dimethyl-1-adamantyl)methanamine
CID 80533489
1-(3-methyl-1-adamantyl)butan-1-amine
CID 115778291
(2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol
CID 114978827
(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
CID 156789144
1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074325

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-adamantyl)-thiophen-2-ylmethanamine?
The IUPAC name of (3-methyl-1-adamantyl)-thiophen-2-ylmethanamine (CID 113402734) is (3-methyl-1-adamantyl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (3-methyl-1-adamantyl)-thiophen-2-ylmethanamine?
The canonical SMILES for (3-methyl-1-adamantyl)-thiophen-2-ylmethanamine is CC12CC3CC(C1)CC(C(N)c1cccs1)(C3)C2.
What is the InChIKey of (3-methyl-1-adamantyl)-thiophen-2-ylmethanamine?
The InChIKey is PMPQKRSTYFNARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-15-6-11-5-12(7-15)9-16(8-11,10-15)14(17)13-3-2-4-18-13/h2-4,11-12,14H,5-10,17H2,1H3.
What are the key properties of (3-methyl-1-adamantyl)-thiophen-2-ylmethanamine?
(3-methyl-1-adamantyl)-thiophen-2-ylmethanamine has a molecular weight of 261.43 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-adamantyl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 113402734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).