N-[1-adamantyl(thiophen-3-yl)methyl]ethanamine

C17H25NS — CID 65104862

IUPACN-[1-adamantyl(thiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25NS/c1-2-18-16(15-3-4-19-11-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h3-4,11-14,16,18H,2,5-10H2,1H3
InChIKeyFIZJDJULXBWHHX-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.62
Rot. Bonds4

About N-[1-adamantyl(thiophen-3-yl)methyl]ethanamine

N-[1-adamantyl(thiophen-3-yl)methyl]ethanamine (PubChem CID 65104862) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is N-[1-adamantyl(thiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-adamantyl(thiophen-3-yl)methyl]ethanamine
PubChem CID65104862
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC NameN-[1-adamantyl(thiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccsc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H25NS/c1-2-18-16(15-3-4-19-11-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h3-4,11-14,16,18H,2,5-10H2,1H3
InChIKeyFIZJDJULXBWHHX-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]ethanamine
CID 116768863
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-thiophen-3-ylmethyl]ethanamine
CID 112681283
N-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine
CID 114216048
N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine
CID 80626981
1-(1-adamantyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 63454785
N-[1-adamantyl(pyrazin-2-yl)methyl]ethanamine
CID 63969859
N-[(1,1-dioxothiolan-3-yl)-thiophen-3-ylmethyl]ethanamine
CID 115336829
3-cyclopentyl-N-ethyl-1-thiophen-3-ylpropan-1-amine
CID 104988399
2-cyclopropyl-N-ethyl-2-methoxy-1-thiophen-3-ylethanamine
CID 116722511
N,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
CID 79069924
1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63420269
N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine
CID 65104762

Frequently Asked Questions

What is the IUPAC name of N-[1-adamantyl(thiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[1-adamantyl(thiophen-3-yl)methyl]ethanamine (CID 65104862) is N-[1-adamantyl(thiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-adamantyl(thiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[1-adamantyl(thiophen-3-yl)methyl]ethanamine is CCNC(c1ccsc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-adamantyl(thiophen-3-yl)methyl]ethanamine?
The InChIKey is FIZJDJULXBWHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-2-18-16(15-3-4-19-11-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h3-4,11-14,16,18H,2,5-10H2,1H3.
What are the key properties of N-[1-adamantyl(thiophen-3-yl)methyl]ethanamine?
N-[1-adamantyl(thiophen-3-yl)methyl]ethanamine has a molecular weight of 275.46 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-adamantyl(thiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 65104862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).