(1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine

C15H25NO — CID 155149784

IUPAC(1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine
SMILESCCCN[C@H]1CCC(COC)C2=C1CCC=C2
InChIInChI=1S/C15H25NO/c1-3-10-16-15-9-8-12(11-17-2)13-6-4-5-7-14(13)15/h4,6,12,15-16H,3,5,7-11H2,1-2H3/t12?,15-/m0/s1
InChIKeyLGXKPEPSMJHWRX-CVRLYYSRSA-N
MW235.37 g/mol
LogP3.06
Rot. Bonds5

About (1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine

(1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine (PubChem CID 155149784) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine
PubChem CID155149784
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine
SMILESCCCN[C@H]1CCC(COC)C2=C1CCC=C2
InChIInChI=1S/C15H25NO/c1-3-10-16-15-9-8-12(11-17-2)13-6-4-5-7-14(13)15/h4,6,12,15-16H,3,5,7-11H2,1-2H3/t12?,15-/m0/s1
InChIKeyLGXKPEPSMJHWRX-CVRLYYSRSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine?
The IUPAC name of (1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine (CID 155149784) is (1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine?
The canonical SMILES for (1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine is CCCN[C@H]1CCC(COC)C2=C1CCC=C2.
What is the InChIKey of (1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine?
The InChIKey is LGXKPEPSMJHWRX-CVRLYYSRSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-10-16-15-9-8-12(11-17-2)13-6-4-5-7-14(13)15/h4,6,12,15-16H,3,5,7-11H2,1-2H3/t12?,15-/m0/s1.
What are the key properties of (1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine?
(1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine is sourced from PubChem (CID 155149784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).