N-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine

C19H31NO — CID 70997088

IUPACN-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine
SMILESCCCCC(CNCCC)OC1C=CC2=C(C=CCC2)C1
InChIInChI=1S/C19H31NO/c1-3-5-10-19(15-20-13-4-2)21-18-12-11-16-8-6-7-9-17(16)14-18/h7,9,11-12,18-20H,3-6,8,10,13-15H2,1-2H3
InChIKeyNFEWOQOFXIIILD-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.54
Rot. Bonds9

About N-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine

N-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine (PubChem CID 70997088) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine.

Molecular Properties

Compound NameN-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine
PubChem CID70997088
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine
SMILESCCCCC(CNCCC)OC1C=CC2=C(C=CCC2)C1
InChIInChI=1S/C19H31NO/c1-3-5-10-19(15-20-13-4-2)21-18-12-11-16-8-6-7-9-17(16)14-18/h7,9,11-12,18-20H,3-6,8,10,13-15H2,1-2H3
InChIKeyNFEWOQOFXIIILD-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.54
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-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine?
The IUPAC name of N-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine (CID 70997088) is N-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine.
What is the SMILES notation for N-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine?
The canonical SMILES for N-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine is CCCCC(CNCCC)OC1C=CC2=C(C=CCC2)C1.
What is the InChIKey of N-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine?
The InChIKey is NFEWOQOFXIIILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-5-10-19(15-20-13-4-2)21-18-12-11-16-8-6-7-9-17(16)14-18/h7,9,11-12,18-20H,3-6,8,10,13-15H2,1-2H3.
What are the key properties of N-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine?
N-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine is sourced from PubChem (CID 70997088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).