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

C17H27NS — CID 106009339

IUPACN-[(5-ethylthiophen-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCCc1ccc(CNC2CCC3CCCCC3C2)s1
InChIInChI=1S/C17H27NS/c1-2-16-9-10-17(19-16)12-18-15-8-7-13-5-3-4-6-14(13)11-15/h9-10,13-15,18H,2-8,11-12H2,1H3
InChIKeyWWTPNKOHUBCTNU-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.76
Rot. Bonds4

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

N-[(5-ethylthiophen-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 106009339) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID106009339
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCCc1ccc(CNC2CCC3CCCCC3C2)s1
InChIInChI=1S/C17H27NS/c1-2-16-9-10-17(19-16)12-18-15-8-7-13-5-3-4-6-14(13)11-15/h9-10,13-15,18H,2-8,11-12H2,1H3
InChIKeyWWTPNKOHUBCTNU-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(1S,2R,3R,5R)-N-[(5-tert-butylthiophen-2-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 145954470
(1S,2R,3R,5R)-2,6,6-trimethyl-N-[(5-methylthiophen-2-yl)methyl]bicyclo[3.1.1]heptan-3-amine
CID 145954636
(1S,2R,3R,5R)-N-[(3-cyclopentylthiophen-2-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 145956763
(1S,2R,3R,5R)-2,6,6-trimethyl-N-[(4-methylthiophen-2-yl)methyl]bicyclo[3.1.1]heptan-3-amine
CID 145957084
(1S,2R,3R,5R)-N-[(3-cyclopropylthiophen-2-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 145958765
(1S,2R,3R,5R)-N-[(4-butylthiophen-2-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 145973845
N-[(3-methylthiophen-2-yl)methyl]adamantan-2-amine;hydrochloride
CID 16192628
2-[[(1-Phenylethyl)amino]methyl]-5-methylthiophene
CID 4715520
(1S,2R,3R,5R)-N-[(3-cyclohexylthiophen-2-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 145949287
(1S,2R,3R,5R)-N-[(4-cyclopentylthiophen-2-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 145949837
(1S,2R,3R,5R)-N-[(4-cyclopropylthiophen-2-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 145950426
(1S,2R,3R,5R)-2,6,6-trimethyl-N-(thiophen-2-ylmethyl)bicyclo[3.1.1]heptan-3-amine
CID 145951775

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 106009339) is N-[(5-ethylthiophen-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is CCc1ccc(CNC2CCC3CCCCC3C2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is WWTPNKOHUBCTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-2-16-9-10-17(19-16)12-18-15-8-7-13-5-3-4-6-14(13)11-15/h9-10,13-15,18H,2-8,11-12H2,1H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-[(5-ethylthiophen-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 277.48 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 106009339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).