N-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C17H27NO — CID 115572613

IUPACN-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCOCCCNC1CCc2ccccc2C1
InChIInChI=1S/C17H27NO/c1-2-3-12-19-13-6-11-18-17-10-9-15-7-4-5-8-16(15)14-17/h4-5,7-8,17-18H,2-3,6,9-14H2,1H3
InChIKeyBZAPGIPJTSQZLH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.34
Rot. Bonds8

About N-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine

N-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 115572613) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID115572613
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCOCCCNC1CCc2ccccc2C1
InChIInChI=1S/C17H27NO/c1-2-3-12-19-13-6-11-18-17-10-9-15-7-4-5-8-16(15)14-17/h4-5,7-8,17-18H,2-3,6,9-14H2,1H3
InChIKeyBZAPGIPJTSQZLH-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 115572613) is N-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is CCCCOCCCNC1CCc2ccccc2C1.
What is the InChIKey of N-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is BZAPGIPJTSQZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-3-12-19-13-6-11-18-17-10-9-15-7-4-5-8-16(15)14-17/h4-5,7-8,17-18H,2-3,6,9-14H2,1H3.
What are the key properties of N-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 115572613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).