N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine

C19H31NS — CID 102841954

IUPACN-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccsc1C)C1CCC2CCCCC2C1
InChIInChI=1S/C19H31NS/c1-3-11-20-19(18-10-12-21-14(18)2)17-9-8-15-6-4-5-7-16(15)13-17/h10,12,15-17,19-20H,3-9,11,13H2,1-2H3
InChIKeyYSVPBPRZASWZIV-UHFFFAOYSA-N
MW305.53 g/mol
LogP5.70
Rot. Bonds5

About N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine

N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 102841954) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID102841954
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC NameN-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccsc1C)C1CCC2CCCCC2C1
InChIInChI=1S/C19H31NS/c1-3-11-20-19(18-10-12-21-14(18)2)17-9-8-15-6-4-5-7-16(15)13-17/h10,12,15-17,19-20H,3-9,11,13H2,1-2H3
InChIKeyYSVPBPRZASWZIV-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.53
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[2-adamantyl-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102840928
N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(furan-3-yl)methyl]propan-1-amine
CID 115855420
N-[(1,1-dioxothiolan-3-yl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102833570
N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 115826950
N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102832629
N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105033089
N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118
N-[2,3-dihydro-1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102840468
1-cyclopentyl-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102832026
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-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964

Frequently Asked Questions

What is the IUPAC name of N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine (CID 102841954) is N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1ccsc1C)C1CCC2CCCCC2C1.
What is the InChIKey of N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is YSVPBPRZASWZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NS/c1-3-11-20-19(18-10-12-21-14(18)2)17-9-8-15-6-4-5-7-16(15)13-17/h10,12,15-17,19-20H,3-9,11,13H2,1-2H3.
What are the key properties of N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine?
N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine has a molecular weight of 305.53 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 102841954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).