7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H25N — CID 113305796

IUPAC7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCC(C)c2ccc(CC)cc21
InChIInChI=1S/C16H25N/c1-4-10-17-16-9-6-12(3)14-8-7-13(5-2)11-15(14)16/h7-8,11-12,16-17H,4-6,9-10H2,1-3H3
InChIKeyXZBKJKLVVATKDZ-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.19
Rot. Bonds4

About 7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 113305796) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID113305796
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCC(C)c2ccc(CC)cc21
InChIInChI=1S/C16H25N/c1-4-10-17-16-9-6-12(3)14-8-7-13(5-2)11-15(14)16/h7-8,11-12,16-17H,4-6,9-10H2,1-3H3
InChIKeyXZBKJKLVVATKDZ-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 113305796) is 7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCNC1CCC(C)c2ccc(CC)cc21.
What is the InChIKey of 7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is XZBKJKLVVATKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-10-17-16-9-6-12(3)14-8-7-13(5-2)11-15(14)16/h7-8,11-12,16-17H,4-6,9-10H2,1-3H3.
What are the key properties of 7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 113305796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).