N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine

C14H21N — CID 43222712

IUPACN-butyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCNC1CCc2ccccc2C1
InChIInChI=1S/C14H21N/c1-2-3-10-15-14-9-8-12-6-4-5-7-13(12)11-14/h4-7,14-15H,2-3,8-11H2,1H3
InChIKeyFSXXDNPGFQZQSR-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.93
Rot. Bonds4

About N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine

N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 43222712) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-butyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID43222712
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-butyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCNC1CCc2ccccc2C1
InChIInChI=1S/C14H21N/c1-2-3-10-15-14-9-8-12-6-4-5-7-13(12)11-14/h4-7,14-15H,2-3,8-11H2,1H3
InChIKeyFSXXDNPGFQZQSR-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 43222712) is N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCCNC1CCc2ccccc2C1.
What is the InChIKey of N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is FSXXDNPGFQZQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-2-3-10-15-14-9-8-12-6-4-5-7-13(12)11-14/h4-7,14-15H,2-3,8-11H2,1H3.
What are the key properties of N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine?
N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 203.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 43222712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).