3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine

C17H27NO — CID 64573367

IUPAC3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine
SMILESCCC(N)(CC)COCC1CCCc2ccccc21
InChIInChI=1S/C17H27NO/c1-3-17(18,4-2)13-19-12-15-10-7-9-14-8-5-6-11-16(14)15/h5-6,8,11,15H,3-4,7,9-10,12-13,18H2,1-2H3
InChIKeyUBMKNZVAOYJDKB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.64
Rot. Bonds6

About 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine

3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine (PubChem CID 64573367) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine
PubChem CID64573367
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine
SMILESCCC(N)(CC)COCC1CCCc2ccccc21
InChIInChI=1S/C17H27NO/c1-3-17(18,4-2)13-19-12-15-10-7-9-14-8-5-6-11-16(14)15/h5-6,8,11,15H,3-4,7,9-10,12-13,18H2,1-2H3
InChIKeyUBMKNZVAOYJDKB-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine
CID 64551489
N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine
CID 63771953
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)piperidine
CID 63771604
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
CID 83056818
[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-yl]hydrazine
CID 105219620
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63772300
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopentan-1-amine
CID 63772469

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine?
The IUPAC name of 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine (CID 64573367) is 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine.
What is the SMILES notation for 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine?
The canonical SMILES for 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine is CCC(N)(CC)COCC1CCCc2ccccc21.
What is the InChIKey of 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine?
The InChIKey is UBMKNZVAOYJDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-17(18,4-2)13-19-12-15-10-7-9-14-8-5-6-11-16(14)15/h5-6,8,11,15H,3-4,7,9-10,12-13,18H2,1-2H3.
What are the key properties of 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine?
3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine has a molecular weight of 261.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine is sourced from PubChem (CID 64573367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).