1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine

C18H31N — CID 115819269

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)C1CCC2CCCCC2C1
InChIInChI=1S/C18H31N/c1-3-5-10-18(19-13-4-2)17-12-11-15-8-6-7-9-16(15)14-17/h15-19H,4,6-14H2,1-2H3
InChIKeyWFQGOPTXTMJSKO-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.37
Rot. Bonds5

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine (PubChem CID 115819269) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine
PubChem CID115819269
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)C1CCC2CCCCC2C1
InChIInChI=1S/C18H31N/c1-3-5-10-18(19-13-4-2)17-12-11-15-8-6-7-9-16(15)14-17/h15-19H,4,6-14H2,1-2H3
InChIKeyWFQGOPTXTMJSKO-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine with MolForge

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Related Compounds

1-(3-ethylcyclopentyl)-N-propylpent-3-yn-1-amine
CID 65411828
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine
CID 105005744
N-propyl-1-(4-propylcyclohexyl)pent-3-yn-1-amine
CID 65425333
1-(2-methylcyclopropyl)-N-propylpent-3-yn-1-amine
CID 65419772
1-cyclopentyl-N-propylbut-3-yn-1-amine
CID 62235333
1-cyclobutyl-N-ethylpent-3-yn-1-amine
CID 64986404
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)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 105044293
N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 115826950
1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine
CID 116772502
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)hexylhydrazine
CID 105294571
N-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(furan-3-yl)methyl]propan-1-amine
CID 115855420

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine (CID 115819269) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine is CC#CCC(NCCC)C1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine?
The InChIKey is WFQGOPTXTMJSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-3-5-10-18(19-13-4-2)17-12-11-15-8-6-7-9-16(15)14-17/h15-19H,4,6-14H2,1-2H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-propylpent-3-yn-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 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)-N-propylpent-3-yn-1-amine is sourced from PubChem (CID 115819269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).