N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine

C18H23NO — CID 54849945

IUPACN-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1c(OC(C)CC)ccc2ccccc12
InChIInChI=1S/C18H23NO/c1-4-12-19-13-17-16-9-7-6-8-15(16)10-11-18(17)20-14(3)5-2/h4,6-11,14,19H,1,5,12-13H2,2-3H3
InChIKeyZTYOBNVXDYQDRJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.29
Rot. Bonds7

About N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine

N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine (PubChem CID 54849945) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine
PubChem CID54849945
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1c(OC(C)CC)ccc2ccccc12
InChIInChI=1S/C18H23NO/c1-4-12-19-13-17-16-9-7-6-8-15(16)10-11-18(17)20-14(3)5-2/h4,6-11,14,19H,1,5,12-13H2,2-3H3
InChIKeyZTYOBNVXDYQDRJ-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]ethanamine
CID 43505535
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848695
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine
CID 54804530
N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine
CID 54849892
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]prop-2-en-1-amine
CID 4717903
N-tert-butyl-2-[1-[(prop-2-enylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053679
(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol
CID 51996892
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
CID 62693267
N,N'-bis[(2-propan-2-yloxynaphthalen-1-yl)methyl]hexane-1,6-diamine;methanesulfonic acid
CID 44531928
N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine
CID 54849922
N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine
CID 82926082
1-phenyl-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]ethanamine
CID 54847639

Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine (CID 54849945) is N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine is C=CCNCc1c(OC(C)CC)ccc2ccccc12.
What is the InChIKey of N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine?
The InChIKey is ZTYOBNVXDYQDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-12-19-13-17-16-9-7-6-8-15(16)10-11-18(17)20-14(3)5-2/h4,6-11,14,19H,1,5,12-13H2,2-3H3.
What are the key properties of N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine?
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 54849945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).