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

C18H31N3 — CID 103029639

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)C1CCC2CCCCC2C1
InChIInChI=1S/C18H31N3/c1-19-18(10-7-14-12-20-21(2)13-14)17-9-8-15-5-3-4-6-16(15)11-17/h12-13,15-19H,3-11H2,1-2H3
InChIKeyOLYYIGIVNLQRAQ-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.55
Rot. Bonds5

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

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103029639) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103029639
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)C1CCC2CCCCC2C1
InChIInChI=1S/C18H31N3/c1-19-18(10-7-14-12-20-21(2)13-14)17-9-8-15-5-3-4-6-16(15)11-17/h12-13,15-19H,3-11H2,1-2H3
InChIKeyOLYYIGIVNLQRAQ-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027909
N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine
CID 103010653
N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009708
N-methyl-3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103029967
N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030167
1-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011871
[1-cycloheptyl-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025788
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115808934
[1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025847
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103029639) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine is CNC(CCc1cnn(C)c1)C1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is OLYYIGIVNLQRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-19-18(10-7-14-12-20-21(2)13-14)17-9-8-15-5-3-4-6-16(15)11-17/h12-13,15-19H,3-11H2,1-2H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 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-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103029639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).