1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine

C19H37NO — CID 105044293

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C(C)CCOC)C1CCC2CCCCC2C1
InChIInChI=1S/C19H37NO/c1-4-12-20-19(15(2)11-13-21-3)18-10-9-16-7-5-6-8-17(16)14-18/h15-20H,4-14H2,1-3H3
InChIKeyDJCANWOHRMGHDI-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.63
Rot. Bonds8

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine (PubChem CID 105044293) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
PubChem CID105044293
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C(C)CCOC)C1CCC2CCCCC2C1
InChIInChI=1S/C19H37NO/c1-4-12-20-19(15(2)11-13-21-3)18-10-9-16-7-5-6-8-17(16)14-18/h15-20H,4-14H2,1-3H3
InChIKeyDJCANWOHRMGHDI-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044588
1-(3-ethylcyclopentyl)-2-methyl-N-propylpentan-1-amine
CID 114013790
1-cyclohexyl-2-methyl-N-propylhexan-1-amine
CID 114246260
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine
CID 115819269
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine
CID 115781927
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine
CID 107893950
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105185029
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine
CID 105005744
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol
CID 115780854
N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 115826950
N-(2-cyclohexyl-1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 116771906
(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine (CID 105044293) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine is CCCNC(C(C)CCOC)C1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
The InChIKey is DJCANWOHRMGHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-4-12-20-19(15(2)11-13-21-3)18-10-9-16-7-5-6-8-17(16)14-18/h15-20H,4-14H2,1-3H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 105044293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).