N-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine

C20H29NO — CID 58251909

IUPACN-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine
SMILESCC(C)(C)NCCCCCCOc1cccc2ccccc12
InChIInChI=1S/C20H29NO/c1-20(2,3)21-15-8-4-5-9-16-22-19-14-10-12-17-11-6-7-13-18(17)19/h6-7,10-14,21H,4-5,8-9,15-16H2,1-3H3
InChIKeyOOHUQKQBEFFEEF-UHFFFAOYSA-N
MW299.46 g/mol
LogP5.17
Rot. Bonds8

About N-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine

N-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine (PubChem CID 58251909) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is N-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine
PubChem CID58251909
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC NameN-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine
SMILESCC(C)(C)NCCCCCCOc1cccc2ccccc12
InChIInChI=1S/C20H29NO/c1-20(2,3)21-15-8-4-5-9-16-22-19-14-10-12-17-11-6-7-13-18(17)19/h6-7,10-14,21H,4-5,8-9,15-16H2,1-3H3
InChIKeyOOHUQKQBEFFEEF-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.17
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-tert-butyl-4-(2-methoxyphenoxy)butan-1-amine
CID 2248871
N-butyl-4-naphthalen-1-yloxybutan-1-amine
CID 2249724
5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine
CID 63498593
4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine
CID 2249610
1-butoxynaphthalene
CID 13262700
1-(3-chloropropoxy)naphthalene
CID 12685615
3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine
CID 2183626
N-tert-butyl-5-quinolin-3-yloxypentan-1-amine
CID 107387805
N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine
CID 2182334
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-2-amine
CID 55070885
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
1-(4-methylpentoxy)naphthalene
CID 83168126

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine?
The IUPAC name of N-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine (CID 58251909) is N-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine.
What is the SMILES notation for N-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine?
The canonical SMILES for N-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine is CC(C)(C)NCCCCCCOc1cccc2ccccc12.
What is the InChIKey of N-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine?
The InChIKey is OOHUQKQBEFFEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c1-20(2,3)21-15-8-4-5-9-16-22-19-14-10-12-17-11-6-7-13-18(17)19/h6-7,10-14,21H,4-5,8-9,15-16H2,1-3H3.
What are the key properties of N-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine?
N-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine has a molecular weight of 299.46 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine is sourced from PubChem (CID 58251909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).