butan-1-amine;9-(hydroperoxymethyl)anthracene;molecular hydrogen

C19H25NO2 — CID 156724477

IUPACbutan-1-amine;9-(hydroperoxymethyl)anthracene;molecular hydrogen
SMILESCCCCN.OOCc1c2ccccc2cc2ccccc12.[H][H]
InChIInChI=1S/C15H12O2.C4H11N.H2/c16-17-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15;1-2-3-4-5;/h1-9,16H,10H2;2-5H2,1H3;1H
InChIKeyBWCPUYFLSAPLEF-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.97
Rot. Bonds4

About butan-1-amine;9-(hydroperoxymethyl)anthracene;molecular hydrogen

butan-1-amine;9-(hydroperoxymethyl)anthracene;molecular hydrogen (PubChem CID 156724477) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is butan-1-amine;9-(hydroperoxymethyl)anthracene;molecular hydrogen.

Molecular Properties

Compound Namebutan-1-amine;9-(hydroperoxymethyl)anthracene;molecular hydrogen
PubChem CID156724477
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Namebutan-1-amine;9-(hydroperoxymethyl)anthracene;molecular hydrogen
SMILESCCCCN.OOCc1c2ccccc2cc2ccccc12.[H][H]
InChIInChI=1S/C15H12O2.C4H11N.H2/c16-17-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15;1-2-3-4-5;/h1-9,16H,10H2;2-5H2,1H3;1H
InChIKeyBWCPUYFLSAPLEF-UHFFFAOYSA-N
XLogP4.97
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

anthracen-9-ylmethyl acetate
CID 27876
butan-1-amine;1-methylnaphthalene
CID 143588906
9-(2-ethoxyethoxymethyl)anthracene
CID 22345017
3-(2-butoxynaphthalen-1-yl)propan-1-amine
CID 170867884
anthracen-9-ylmethyl 2-bromo-2-methylpropanoate
CID 71362067
anthracen-9-ylmethyl N-methylcarbamate
CID 90378707
anthracen-9-ylmethyl N,N-bis(2-methylnonyl)carbamate
CID 122693887
butan-1-amine;nickel;phenol
CID 174463369
4-anthracen-9-yloxybutan-1-amine
CID 14373236
anthracen-9-ylmethyl anthracene-9-carboxylate
CID 59653644
1-[3-(anthracen-9-ylmethoxy)phenyl]hexan-1-ol
CID 21288508
ethyl 2-amino-3-anthracen-9-ylpropanoate
CID 170884626

Frequently Asked Questions

What is the IUPAC name of butan-1-amine;9-(hydroperoxymethyl)anthracene;molecular hydrogen?
The IUPAC name of butan-1-amine;9-(hydroperoxymethyl)anthracene;molecular hydrogen (CID 156724477) is butan-1-amine;9-(hydroperoxymethyl)anthracene;molecular hydrogen.
What is the SMILES notation for butan-1-amine;9-(hydroperoxymethyl)anthracene;molecular hydrogen?
The canonical SMILES for butan-1-amine;9-(hydroperoxymethyl)anthracene;molecular hydrogen is CCCCN.OOCc1c2ccccc2cc2ccccc12.[H][H].
What is the InChIKey of butan-1-amine;9-(hydroperoxymethyl)anthracene;molecular hydrogen?
The InChIKey is BWCPUYFLSAPLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2.C4H11N.H2/c16-17-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15;1-2-3-4-5;/h1-9,16H,10H2;2-5H2,1H3;1H.
What are the key properties of butan-1-amine;9-(hydroperoxymethyl)anthracene;molecular hydrogen?
butan-1-amine;9-(hydroperoxymethyl)anthracene;molecular hydrogen has a molecular weight of 299.41 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;9-(hydroperoxymethyl)anthracene;molecular hydrogen is sourced from PubChem (CID 156724477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).