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

C18H29NO — CID 115855420

IUPACN-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)C1CCC2CCCCC2C1
InChIInChI=1S/C18H29NO/c1-2-10-19-18(17-9-11-20-13-17)16-8-7-14-5-3-4-6-15(14)12-16/h9,11,13-16,18-19H,2-8,10,12H2,1H3
InChIKeyDBGLRFWPYKJDFY-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.93
Rot. Bonds5

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

N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(furan-3-yl)methyl]propan-1-amine (PubChem CID 115855420) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(furan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(furan-3-yl)methyl]propan-1-amine
PubChem CID115855420
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)C1CCC2CCCCC2C1
InChIInChI=1S/C18H29NO/c1-2-10-19-18(17-9-11-20-13-17)16-8-7-14-5-3-4-6-15(14)12-16/h9,11,13-16,18-19H,2-8,10,12H2,1H3
InChIKeyDBGLRFWPYKJDFY-UHFFFAOYSA-N
XLogP4.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 115826950
N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102841954
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-[(1,1-dioxothiolan-3-yl)-(furan-3-yl)methyl]propan-1-amine
CID 113289806
N-[furan-3-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80627639
N-[2-cyclohexyl-1-(furan-3-yl)-2-methoxyethyl]propan-1-amine
CID 116771848
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105030037
[furan-3-yl-(3-methylcyclopentyl)methyl]hydrazine
CID 105233310
N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092986
N-[1,4-dithian-2-yl(furan-3-yl)methyl]propan-1-amine
CID 79965561
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethyl]propan-1-amine
CID 79562074
N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine
CID 103759862

Frequently Asked Questions

What is the IUPAC name of N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(furan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(furan-3-yl)methyl]propan-1-amine (CID 115855420) is N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(furan-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(furan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(furan-3-yl)methyl]propan-1-amine is CCCNC(c1ccoc1)C1CCC2CCCCC2C1.
What is the InChIKey of N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(furan-3-yl)methyl]propan-1-amine?
The InChIKey is DBGLRFWPYKJDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-10-19-18(17-9-11-20-13-17)16-8-7-14-5-3-4-6-15(14)12-16/h9,11,13-16,18-19H,2-8,10,12H2,1H3.
What are the key properties of N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(furan-3-yl)methyl]propan-1-amine?
N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(furan-3-yl)methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.93, 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(furan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 115855420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).