4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine

C14H21N — CID 81301517

IUPAC4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)NC1CCC(C)c2ccccc21
InChIInChI=1S/C14H21N/c1-10(2)15-14-9-8-11(3)12-6-4-5-7-13(12)14/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyKLLUMPIFFNZWQG-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.62
Rot. Bonds2

About 4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine

4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 81301517) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID81301517
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)NC1CCC(C)c2ccccc21
InChIInChI=1S/C14H21N/c1-10(2)15-14-9-8-11(3)12-6-4-5-7-13(12)14/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyKLLUMPIFFNZWQG-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 81301517) is 4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine is CC(C)NC1CCC(C)c2ccccc21.
What is the InChIKey of 4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is KLLUMPIFFNZWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10(2)15-14-9-8-11(3)12-6-4-5-7-13(12)14/h4-7,10-11,14-15H,8-9H2,1-3H3.
What are the key properties of 4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 81301517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).