5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine

C19H31NO — CID 63517229

IUPAC5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine
SMILESCC(C)CCC(C)NCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C19H31NO/c1-15(2)8-9-16(3)20-12-13-21-19-11-10-17-6-4-5-7-18(17)14-19/h10-11,14-16,20H,4-9,12-13H2,1-3H3
InChIKeyMDIYETGWWCTIEX-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.36
Rot. Bonds8

About 5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine

5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine (PubChem CID 63517229) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine
PubChem CID63517229
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine
SMILESCC(C)CCC(C)NCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C19H31NO/c1-15(2)8-9-16(3)20-12-13-21-19-11-10-17-6-4-5-7-18(17)14-19/h10-11,14-16,20H,4-9,12-13H2,1-3H3
InChIKeyMDIYETGWWCTIEX-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.36
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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Related Compounds

N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine
CID 62599636
N-[2-(4-chloro-3-ethylphenoxy)ethyl]-5-methylhexan-2-amine
CID 63516682
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
CID 62460874
3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101536
5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine
CID 55245786
5-methyl-N-[2-(3-methylsulfonylphenoxy)ethyl]hexan-2-amine
CID 62582877
2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
CID 64810805
5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine
CID 116793720
N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 55075397
N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine
CID 61398719
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid
CID 112511653

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine (CID 63517229) is 5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine is CC(C)CCC(C)NCCOc1ccc2c(c1)CCCC2.
What is the InChIKey of 5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine?
The InChIKey is MDIYETGWWCTIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(2)8-9-16(3)20-12-13-21-19-11-10-17-6-4-5-7-18(17)14-19/h10-11,14-16,20H,4-9,12-13H2,1-3H3.
What are the key properties of 5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine?
5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine is sourced from PubChem (CID 63517229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).