4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine

C20H31N — CID 63772300

IUPAC4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
SMILESCCCC1CCC(N)(CC2CCCc3ccccc32)CC1
InChIInChI=1S/C20H31N/c1-2-6-16-11-13-20(21,14-12-16)15-18-9-5-8-17-7-3-4-10-19(17)18/h3-4,7,10,16,18H,2,5-6,8-9,11-15,21H2,1H3
InChIKeyLFWFGZADUIQOQY-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.18
Rot. Bonds4

About 4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine

4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine (PubChem CID 63772300) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is 4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
PubChem CID63772300
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
SMILESCCCC1CCC(N)(CC2CCCc3ccccc32)CC1
InChIInChI=1S/C20H31N/c1-2-6-16-11-13-20(21,14-12-16)15-18-9-5-8-17-7-3-4-10-19(17)18/h3-4,7,10,16,18H,2,5-6,8-9,11-15,21H2,1H3
InChIKeyLFWFGZADUIQOQY-UHFFFAOYSA-N
XLogP5.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine (CID 63772300) is 4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine is CCCC1CCC(N)(CC2CCCc3ccccc32)CC1.
What is the InChIKey of 4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine?
The InChIKey is LFWFGZADUIQOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-2-6-16-11-13-20(21,14-12-16)15-18-9-5-8-17-7-3-4-10-19(17)18/h3-4,7,10,16,18H,2,5-6,8-9,11-15,21H2,1H3.
What are the key properties of 4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine?
4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine has a molecular weight of 285.47 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 63772300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).