N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine

C14H21N — CID 59487265

IUPACN-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine
SMILESCC(C)NCc1cccc2c1CCCC2
InChIInChI=1S/C14H21N/c1-11(2)15-10-13-8-5-7-12-6-3-4-9-14(12)13/h5,7-8,11,15H,3-4,6,9-10H2,1-2H3
InChIKeyDESCSOKVJOIPHI-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.06
Rot. Bonds3

About N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine

N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine (PubChem CID 59487265) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine
PubChem CID59487265
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine
SMILESCC(C)NCc1cccc2c1CCCC2
InChIInChI=1S/C14H21N/c1-11(2)15-10-13-8-5-7-12-6-3-4-9-14(12)13/h5,7-8,11,15H,3-4,6,9-10H2,1-2H3
InChIKeyDESCSOKVJOIPHI-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine?
The IUPAC name of N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine (CID 59487265) is N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine?
The canonical SMILES for N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine is CC(C)NCc1cccc2c1CCCC2.
What is the InChIKey of N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine?
The InChIKey is DESCSOKVJOIPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11(2)15-10-13-8-5-7-12-6-3-4-9-14(12)13/h5,7-8,11,15H,3-4,6,9-10H2,1-2H3.
What are the key properties of N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine?
N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine has a molecular weight of 203.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine is sourced from PubChem (CID 59487265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).